Information card for entry 4500965

Structure parameters

• Formula: C34 H24 Cl2 O4
• Calculated formula: C34 H24 Cl2 O4
• SMILES: ClCCl.O=C1C(C(=O)c2c1cccc2)(c1ccc(O)c(c1)c1ccccc1)c1ccc(O)c(c1)c1ccccc1
• 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: 9.3881 ± 0.0019 Å
• b: 26.515 ± 0.006 Å
• c: 11.103 ± 0.003 Å
• α: 90°
• β: 97.768 ± 0.01°
• γ: 90°
• Cell volume: 2738.5 ± 1.1 ų
• Cell temperature: 223.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No