Information card for entry 4500966

Structure parameters

• Formula: C35 H28 O5
• Calculated formula: C35 H28 O5
• SMILES: O=C1C(C(=O)c2ccccc12)(c1ccc(O)c(c1)c1ccccc1)c1ccc(O)c(c1)c1ccccc1.OCC
• Title of publication: Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione
• Authors of publication: Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4044
• a: 9.343 ± 0.004 Å
• b: 11.137 ± 0.006 Å
• c: 14.234 ± 0.006 Å
• α: 112.231 ± 0.018°
• β: 96.642 ± 0.014°
• γ: 98.164 ± 0.019°
• Cell volume: 1333.7 ± 1.1 ų
• Cell temperature: 223.1 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 significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No