Crystallography Open Database

Information card for entry 1545232

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Structure parameters

Formula	C38 H41 N O3 Si
Calculated formula	C38 H41 N O3 Si
SMILES	[Si](OC(=C\C=C)/N1[C@H](C(OC1=O)(c1ccccc1)c1ccccc1)C(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1
Title of publication	Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.
Authors of publication	Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	1
Pages of publication	198 - 201
a	10.6064 ± 0.0002 Å
b	23.8323 ± 0.0004 Å
c	13.3936 ± 0.0003 Å
α	90°
β	98.0064 ± 0.0012°
γ	90°
Cell volume	3352.57 ± 0.11 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0536
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1545232.cif
191324	2017-02-04	cif/ Adding structures of 1545232 via cif-deposit CGI script.	1545232.cif