Crystallography Open Database

Information card for entry 2011718

2011717 << 2011718 >> 2011719

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Coordinates	2011718.cif
Original IUCr paper	HTML

Structure parameters

Formula	C23 H23 N O2 S Si
Calculated formula	C23 H23 N O2 S Si
SMILES	S(=O)(=O)(N1[C@@H]2C[Si](C[C@H]12)(c1ccccc1)c1ccccc1)c1ccc(cc1)C
Title of publication	3,3-Diphenyl-6-(<i>p</i>-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane
Authors of publication	Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	1
Pages of publication	120 - 122
a	9.4106 ± 0.0006 Å
b	8.6993 ± 0.0003 Å
c	26.7493 ± 0.0016 Å
α	90°
β	96 ± 0.005°
γ	90°
Cell volume	2177.9 ± 0.2 Å³
Cell temperature	293 ± 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 significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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