Crystallography Open Database

Information card for entry 4121293

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Structure parameters

Formula	C24 H31 N O Si
Calculated formula	C24 H31 N O Si
SMILES	[Si](C(c1[nH]c(=O)c2ccc(c3ccc(C)cc3)cc2c1)CCCC)(C)(C)C
Title of publication	Room-Temperature Synthesis of Trisubstituted Allenylsilanes via Regioselective C-H Functionalization
Authors of publication	Rong Zeng; Shangze Wu; Chunling Fu; Shengming Ma
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18284 - 18287
a	9.1348 ± 0.0016 Å
b	10.404 ± 0.002 Å
c	13.375 ± 0.003 Å
α	103.609 ± 0.017°
β	94.386 ± 0.016°
γ	108.491 ± 0.017°
Cell volume	1155.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1562
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.2574
Weighted residual factors for all reflections included in the refinement	0.3161
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301834 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure.	4121293.cif
179014	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/12.	4121293.cif
107489	2014-03-19	cif/ Adding structures of 4121293 via cif-deposit CGI script.	4121293.cif