Crystallography Open Database

Information card for entry 7108226

Preview

Coordinates	7108226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H33 Cl N2
Calculated formula	C54.5 H33 Cl N2
Title of publication	Highly pi electron-rich macro-aromatics: bis(p-aminophenyl)-carbo-benzenes and their DBA acyclic references
Authors of publication	Remi Chauvin; Arnaud Rives; Iaroslav Baglai; Volodymyr Malytskyi; Valerie Maraval; Nathalie Saffon; Zoia Voitenko
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	8763
a	12.456 ± 0.004 Å
b	16.127 ± 0.005 Å
c	20.503 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	4119 ± 2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.289
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.2387
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7108226.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7108226.cif
64464	2012-08-16	cif/ Adding structures of 7108226, 7108227, 7108228 via cif-deposit CGI script.	7108226.cif