Crystallography Open Database

Information card for entry 2006411

2006410 << 2006411 >> 2006412

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Coordinates	2006411.cif
Original IUCr paper	HTML

Structure parameters

Formula	C16 H23 N O4 S Si
Calculated formula	C16 H23 N O4 S Si
SMILES	S(=O)(c1c(cccc1)N(=O)=O)O[C@H]1[C@@H]([Si](C)(C)C)[C@H]2CC[C@@H]1C2.S(=O)(c1c(cccc1)N(=O)=O)O[C@@H]1[C@H]([Si](C)(C)C)[C@@H]2CC[C@H]1C2
Title of publication	<i>endo</i>-3-Trimethylsilyl-2-norbornyl 2-Nitrobenzenesulfinate
Authors of publication	White, Jonathan M.; Green, Alison J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	8
Pages of publication	1084 - 1086
a	14.4679 ± 0.001 Å
b	11.5916 ± 0.001 Å
c	11.456 ± 0.003 Å
α	90 ± 0.01°
β	107.05 ± 0.01°
γ	90 ± 0.009°
Cell volume	1836.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction 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 all reflections	0.0688
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for all reflections	0.1463
Weighted residual factors for significantly intense reflections	0.1307
Goodness-of-fit parameter for all reflections	1.049
Goodness-of-fit parameter for significantly intense reflections	1.087
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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