Information card for entry 7105277

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: OC1(c2c(C(c3ccc(OC)cc3)(O)c3c1cccc3)cccc2)c1ccc(OC)cc1
• 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: 6.216 ± 0.0009 Å
• b: 10.9301 ± 0.0016 Å
• c: 16.315 ± 0.002 Å
• α: 97.721 ± 0.003°
• β: 90.851 ± 0.003°
• γ: 105.319 ± 0.003°
• Cell volume: 1057.9 ± 0.3 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: 0.1335
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No