Crystallography Open Database

Information card for entry 4511137

Preview

Coordinates	4511137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 O7
Calculated formula	C32 H38 O7
Title of publication	Pseudopolymorph and Charge-Transfer Co-Crystal of Disubstituted Adamantane containing Dimethoxyphenol Moieties
Authors of publication	Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	8
Pages of publication	3692
a	15.015 ± 0.002 Å
b	21.454 ± 0.003 Å
c	9.6703 ± 0.0014 Å
α	90°
β	110.752 ± 0.002°
γ	90°
Cell volume	2913 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1688
Weighted residual factors for all reflections included in the refinement	0.176
Goodness-of-fit parameter for all reflections included in the refinement	1.384
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
179658 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/11.	4511137.cif
114714	2014-05-29	cif/ Adding structures of 4511136, 4511137, 4511138 via cif-deposit CGI script.	4511137.cif