Crystallography Open Database

Information card for entry 7113067

Preview

Coordinates	7113067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H23 Cl2 N O2
Calculated formula	C82 H21 N O2
Title of publication	Optically active liquid-crystalline fullerodendrimers from enantiomerically pure fulleropyrrolidines.
Authors of publication	Lincker, Frédéric; Bourgun, Philippe; Stoeckli-Evans, Helen; Saez, Isabel M.; Goodby, John W.; Deschenaux, Robert
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	40
Pages of publication	7522 - 7524
a	10.136 ± 0.0013 Å
b	13.5421 ± 0.0013 Å
c	17.233 ± 0.002 Å
α	90°
β	98.169 ± 0.01°
γ	90°
Cell volume	2341.4 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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
180244 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30.	7113067.cif
112232	2014-04-30	cif/ Adding structures of 7113067 via cif-deposit CGI script.	7113067.cif