Crystallography Open Database

Information card for entry 4115467

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Structure parameters

Formula	C38 H41 F3 O3 Si
Calculated formula	C38 H41 F3 O3 Si
Title of publication	Chirality Transfer during the [2,3]-sila-Wittig Rearrangement and Cyclopropanation Reaction of Optically Active [(sec-Allyloxy)silyl]lithiums
Authors of publication	Atsushi Kawachi; Hirofumi Maeda; Hiroshi Nakamura; Noriyuki Doi; Kohei Tamao
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	3143 - 3144
a	9.0758 ± 0.0002 Å
b	20.0931 ± 0.0005 Å
c	9.8574 ± 0.0002 Å
α	90°
β	109.627 ± 0.002°
γ	90°
Cell volume	1693.16 ± 0.07 Å³
Cell temperature	173.2 K
Ambient diffraction temperature	173.2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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.	4115467.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.	4115467.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115467.cif
69020	2012-11-30	cif/ Adding structures of 4115467 via cif-deposit CGI script.	4115467.cif