Information card for entry 2009891

Structure parameters

• Formula: C28 H16 Cl2 O4
• Calculated formula: C28 H16 Cl2 O4
• SMILES: Clc1ccc2c(c1)[C@](c1ccccc1)(C(=O)O2)[C@]1(c2ccccc2)C(=O)Oc2c1cc(Cl)cc2
• Title of publication: A chromotropic bi(benzofuranonyl)
• Authors of publication: Mori, Y.; Kubota, I.; Watanabe, Y.; Maeda, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1143 - 1145
• a: 12.25 ± 0.004 Å
• b: 20.42 ± 0.008 Å
• c: 9.633 ± 0.004 Å
• α: 90°
• β: 108.24 ± 0.03°
• γ: 90°
• Cell volume: 2288.6 ± 1.6 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.835
• Diffraction radiation wavelength: 0.71068 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No