Crystallography Open Database

Information card for entry 7100130

Preview

Coordinates	7100130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N O3 S
Calculated formula	C21 H19 N O3 S
SMILES	O=C(c1ccccc1)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C
Title of publication	First Direct Osmium-Catalysed Ketamination of Alkenes
Authors of publication	Villar, Amparo; Hovelmann, Claas H.; Nieger, Martin; Muniz, Kilian
Journal of publication	Chemical Communications
Year of publication	2005
a	12.6115 ± 0.0001 Å
b	5.9741 ± 0.0001 Å
c	24.2313 ± 0.0002 Å
α	90°
β	101.681 ± 0.001°
γ	90°
Cell volume	1787.83 ± 0.04 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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