Crystallography Open Database

Information card for entry 7153234

Preview

Coordinates	7153234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 Cl N O2 S
Calculated formula	C21 H26 Cl N O2 S
Title of publication	A detailed investigation of the aza-Prins reaction.
Authors of publication	Dobbs, Adrian P.; Guesné, Sebastien J J; Parker, Robert J.; Skidmore, John; Stephenson, Richard A.; Hursthouse, Mike B.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	5
Pages of publication	1064 - 1080
a	24.2931 ± 0.0008 Å
b	11.7455 ± 0.0003 Å
c	14.3281 ± 0.0004 Å
α	90°
β	105.602 ± 0.002°
γ	90°
Cell volume	3937.7 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180318 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/32.	7153234.cif
92440	2014-01-12	cif/ Adding structures of 7153233, 7153234, 7153235 via cif-deposit CGI script.	7153234.cif