Crystallography Open Database

Information card for entry 1515324

Preview

Coordinates	1515324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 Br N
Calculated formula	C17 H20 Br N
SMILES	Brc1ccc(/C=N/C23CC4CC(C2)CC(C3)C4)cc1
Title of publication	Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.
Authors of publication	Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2012
Journal volume	11
Journal issue	6
Pages of publication	908 - 913
a	27.68 ± 0.003 Å
b	6.5071 ± 0.0003 Å
c	16.548 ± 0.002 Å
α	90°
β	108.15 ± 0.008°
γ	90°
Cell volume	2832.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0431
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1515324.cif
111126	2014-04-20	cif/ Adding structures of 1515321, 1515322, 1515323, 1515324, 1515325, 1515326, 1515327, 1515328, 1515329 via cif-deposit CGI script.	1515324.cif