Crystallography Open Database

Information card for entry 7216100

Preview

Coordinates	7216100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 N O3
Calculated formula	C23 H27 N O3
Title of publication	Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones
Authors of publication	Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	119
Pages of publication	728
a	6.1739 ± 0.0008 Å
b	7.1907 ± 0.0009 Å
c	44.763 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1987.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.126
Residual factor for significantly intense reflections	0.1161
Weighted residual factors for significantly intense reflections	0.2475
Weighted residual factors for all reflections included in the refinement	0.2515
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180492 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/61.	7216100.cif
114343	2014-05-23	cif/ Adding structures of 7216098, 7216099, 7216100 via cif-deposit CGI script.	7216100.cif