Crystallography Open Database

Information card for entry 4113950

Preview

Coordinates	4113950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H35 N
Calculated formula	C48 H34 N
Title of publication	Molecular Compasses and Gyroscopes with Polar Rotors: Synthesis and Characterization of Crystalline Forms
Authors of publication	Zaira Dominguez; Tinh-A. V. Khuong; Hung Dang; Carlos N. Sanrame; Jose E. Nuñez; Miguel A. Garcia-Garibay
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	8827 - 8837
a	9.2966 ± 0.0016 Å
b	10.5467 ± 0.0018 Å
c	10.5979 ± 0.0018 Å
α	62.706 ± 0.003°
β	71.071 ± 0.003°
γ	84.875 ± 0.003°
Cell volume	871.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
178910 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/39.	4113950.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113950.cif
67226	2012-09-20	cif/ Adding structures of 4113950 via cif-deposit CGI script.	4113950.cif