Crystallography Open Database

Information card for entry 4112773

Preview

Coordinates	4112773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C133 H32 Cl2 N2
Calculated formula	C132.5 H32 Cl2 N2
Title of publication	Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives
Authors of publication	Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	8725 - 8734
a	29.7502 ± 0.0004 Å
b	24.2689 ± 0.0007 Å
c	20.0769 ± 0.0007 Å
α	90 ± 0°
β	90 ± 0°
γ	90 ± 0°
Cell volume	14495.6 ± 0.7 Å³
Cell temperature	298 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.036
Goodness-of-fit parameter for significantly intense reflections	3.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	xray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4112773.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112773.cif
65186	2012-09-05	cif/ Adding structures of 4112773 via cif-deposit CGI script.	4112773.cif