Crystallography Open Database

Information card for entry 7108227

Preview

Coordinates	7108227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H64 N2 Si2
Calculated formula	C56 H64 N2 Si2
SMILES	C(#CC(c1ccc(N)cc1)=C=C=C(C#CC(=C=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccc(N)cc1)c1ccccc1)c1ccccc1)[Si](C(C)C)(C(C)C)C(C)C
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	7.4967 ± 0.0006 Å
b	7.7637 ± 0.0007 Å
c	21.2257 ± 0.0017 Å
α	97.551 ± 0.004°
β	93.735 ± 0.004°
γ	96.544 ± 0.004°
Cell volume	1212.66 ± 0.18 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
180186 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/82.	7108227.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7108227.cif
64464	2012-08-16	cif/ Adding structures of 7108226, 7108227, 7108228 via cif-deposit CGI script.	7108227.cif