Crystallography Open Database

Information card for entry 4115694

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Structure parameters

Formula	C37 H29 P Si
Calculated formula	C37 H29 P Si
Title of publication	Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide
Authors of publication	Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	9210 - 9211
a	16.667 ± 0.001 Å
b	9.2935 ± 0.0006 Å
c	17.903 ± 0.001 Å
α	90°
β	94.538 ± 0.003°
γ	90°
Cell volume	2764.4 ± 0.3 Å³
Cell temperature	173.2 K
Ambient diffraction temperature	173.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.213
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4115694.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115694.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115694.cif
69415	2012-12-14	cif/ Adding structures of 4115694 via cif-deposit CGI script.	4115694.cif