Crystallography Open Database

Information card for entry 4022904

Preview

Coordinates	4022904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 O6
Calculated formula	C60 H66 O6
Title of publication	Facile Synthesis of Janus "Double-Concave" Tribenzo[a,g,m]coronenes
Authors of publication	Zhongtao Li; Nigel T. Lucas; Zhaohui Wang; Daoben Zhu
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	3917 - 3920
a	12.32 ± 0.003 Å
b	13.408 ± 0.003 Å
c	14.101 ± 0.003 Å
α	86.89 ± 0.008°
β	87.282 ± 0.006°
γ	84.369 ± 0.006°
Cell volume	2312.6 ± 0.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.08
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178408 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/29.	4022904.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4022904.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4022904.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4022904.cif
430	2008-07-18	Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition.	4022904.cif