Bis(<i>tert</i>-butyldimethylsilyl)(2,6-diisopropylphenyl)phosphane: the first structure of an organophosphane with two<i>tert</i>-butyldimethylsilyl (TBDMS) substituents
Bibliographic record
Abstract
The title compound, C(24)H(47)PSi(2), is the first organophosphane bearing two tert-butyldimethylsilyl (TBDMS) groups to be crystallographically characterized, even though TBDMS is a very popular bulky silyl group. The structure is a considerably flattened trigonal pyramid, with the sum of the C/Si-P-C/Si angles being 333.35 (6)°, which can be attributed to the steric pressure from the three bulky groups. The P-Si distances [2.2605 (6) and 2.2631 (6) Å] are normal, while the P-C distance [1.8646 (12) Å] is long (outside the s.u. values) compared with related structures. The plane of the aryl ring approximately bisects the Si-P-Si angle, quite unlike the secondary (tert-butyldimethylsilyl)(2,6-diisopropylphenyl)phosphane bearing only one TBDMS group, in which the single Si atom is perpendicular to the aryl ring. The title structure conforms closely to that predicted from B3LYP/6-31G(d) calculations, although the calculations overestimate the degree of planarity. The compound crystallizes centrosymmetrically in the space group P1 as isolated molecules.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.002 |
| Science and technology studies | 0.002 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.003 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.005 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".