Information card for entry 7100007

Structure parameters

• Formula: C20 H20 O3 S
• Calculated formula: C20 H20 O3 S
• SMILES: c1(ccc(cc1)c1ccc(c2ccc(cc2)O)cc1)O.O=S(C)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: 7.1305 ± 0.0014 Å
• b: 34.505 ± 0.007 Å
• c: 6.8846 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1693.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No