Crystallography Open Database

Information card for entry 7111532

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Structure parameters

Formula	C19 H23 N O Si
Calculated formula	C19 H23 N O Si
SMILES	n1(c2cccc3c2c(c1)CC1(C(=O)C3=CCC1)[Si](C)(C)C)C
Title of publication	Bridgehead enolates and bridgehead alkenes in a welwistatin model series
Authors of publication	Boissel, Valerie; Simpkins, Nigel S.; Bhalay, Gurdip; Blake, Alexander J.; Lewis, William
Journal of publication	Chemical Communications
Year of publication	2009
Journal issue	11
Pages of publication	1398 - 1400
a	23.565 ± 0.002 Å
b	10.8079 ± 0.001 Å
c	6.5185 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1660.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	0.93
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7111532.cif
180229	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111532.cif
96624	2014-01-29	cif/ Adding structures of 7111531, 7111532 via cif-deposit CGI script.	7111532.cif