Information card for entry 7105278

Structure parameters

• Chemical name: trans-9,10-dihydroxy-9,10-bis(4-methoxyphenyl)-9,10-dihydroanthracene
• Formula: C28 H24 O4
• Calculated formula: C28 H24 O4
• SMILES: C1(c2ccccc2C(c2c1cccc2)(c1ccc(OC)cc1)O)(c1ccc(cc1)OC)O
• Title of publication: Reversible single-crystal to single-crystal polymorphic phase transformation of an organic crystal.
• Authors of publication: Das, Dinabandhu; Engel, Emile; Barbour, Leonard J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 1676 - 1678
• a: 6.305 ± 0.003 Å
• b: 8.33 ± 0.004 Å
• c: 11.095 ± 0.006 Å
• α: 95.273 ± 0.008°
• β: 105.204 ± 0.008°
• γ: 106.321 ± 0.008°
• Cell volume: 531 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No