Information card for entry 7213420

Structure parameters

• Formula: C30 H24 O6
• Calculated formula: C30 H24 O6
• SMILES: O=C(c1cc(cc(c1)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts
• Authors of publication: Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 2458
• a: 13.7018 ± 0.0003 Å
• b: 14.3753 ± 0.0003 Å
• c: 14.4362 ± 0.0003 Å
• α: 108.261 ± 0.002°
• β: 107.53 ± 0.002°
• γ: 103.187 ± 0.002°
• Cell volume: 2406.02 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1145
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No