Information card for entry 7100008

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 ų
• 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 Fobs: No