Crystallography Open Database

Information card for entry 4103683

Preview

Coordinates	4103683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H53 O13
Calculated formula	C89.952 H52.86 O12.996
Title of publication	Synthesis of Cyclododeciptycene Quinones
Authors of publication	Kaiyan Lou; Allan M. Prior; Bernard Wiredu; John Desper; Duy H. Hua
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17635 - 17641
a	33.0333 ± 0.0017 Å
b	33.0333 ± 0.0017 Å
c	33.0333 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	36046 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.1561
Residual factor for significantly intense reflections	0.1065
Weighted residual factors for significantly intense reflections	0.2727
Weighted residual factors for all reflections included in the refinement	0.2986
Goodness-of-fit parameter for all reflections included in the refinement	1.768
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178782 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/36.	4103683.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103683.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103683.cif
26716	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103683 via cif-deposit CGI script.	4103683.cif