Crystallography Open Database

Information card for entry 7100008

Preview

Coordinates	7100008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 O2
Calculated formula	C22 H22 O2
SMILES	Oc1c(cc(cc1C)c1ccc(c2cc(c(c(c2)C)O)C)cc1)C
Title of publication	Concomitant polymorphs of 2,2',6,6'-tetramethyl-4,4'-terphenyldiol: the b-quinol network reproduced in a metastable polymorph
Authors of publication	Aitipamula Srinivasulu; Ashwini Nangia
Journal of publication	Chemical Communications
Year of publication	2005
a	20.858 ± 0.0012 Å
b	20.858 ± 0.0012 Å
c	10.0116 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	3772.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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