Crystallography Open Database

Information card for entry 7217170

Preview

Coordinates	7217170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 Br2
Calculated formula	C30 H16 Br2
SMILES	c12ccccc1ccc1c2c2c(cc1)c(c(c1c2c2c(cc1)ccc1c2cccc1)Br)Br
Title of publication	Benzylic-Type Couplings Provide an Important Asymmetric Entry to Functionalized, Non-Racemic Helicenes
Authors of publication	Terrasson, Vincent; Roy, Myriam; Moutard, Stéphane; Lafontaine, Marie-Pier; Pèpe, Gérard; Félix, Guy; Gingras, Marc
Journal of publication	RSC Advances
Year of publication	2014
a	16.362 ± 0.003 Å
b	15.987 ± 0.002 Å
c	8.16 ± 0.001 Å
α	90°
β	97.389 ± 0.009°
γ	90°
Cell volume	2116.8 ± 0.5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	3
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	0.2121
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1962
Weighted residual factors for all reflections included in the refinement	0.2444
Goodness-of-fit parameter for all reflections included in the refinement	0.915
Diffraction radiation probe	x-ray
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
180502 (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 7/21/71.	7217170.cif
120552	2014-07-18	cif/ Adding structures of 7217170 via cif-deposit CGI script.	7217170.cif