Crystallography Open Database

Information card for entry 1519358

1519357 << 1519358 >> 1519359

Preview

Coordinates	1519358.cif

Structure parameters

Formula	C18 H28 N2 O2 S Si
Calculated formula	C18 H28 N2 O2 S Si
SMILES	Cc1ccc(cc1)S(=O)(=O)NN1[C@]2(C)CC[C@]1(C(=C)C2)[Si](C)(C)C.Cc1ccc(cc1)S(=O)(=O)NN1[C@@]2(C)CC[C@@]1(C(=C)C2)[Si](C)(C)C
Title of publication	1-Methyl-3-(methylidene)-7-((p-toluenesulfonato)amino)-4-(trimethylsilyl)-7- azabicyclo(2.2.1)heptane
Authors of publication	Coles, Simon J.; Hursthouse, Michael B.; Berry, M. B.; Patient, L.; Kilburn, J. D.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	85
a	14.291 ± 0.003 Å
b	11.709 ± 0.002 Å
c	13.341 ± 0.003 Å
α	90°
β	115.86 ± 0.03°
γ	90°
Cell volume	2008.8 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1251
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1625
Weighted residual factors for all reflections included in the refinement	0.1942
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519358.cif
135710	2015-05-07	cif/ Adding structures of 1519358 via cif-deposit CGI script.	1519358.cif