Information card for entry 8102503

Structure parameters

• Formula: C40 H30 Cl4 N2 O4
• Calculated formula: C40 H30 Cl4 N2 O4
• Title of publication: Crystal structure of 4,8-dihydroxy-1,5-bis(diphenylcarbamoyl)-s-indacene — dichloromethane (1:2), C38H26N2O4 · 2CH2Cl2
• Authors of publication: Barbara Enk; Klaus Wurst; Benno Bildstein
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 591
• a: 9.309 ± 0.0003 Å
• b: 9.951 ± 0.0004 Å
• c: 10.3319 ± 0.0004 Å
• α: 84.768 ± 0.002°
• β: 73.098 ± 0.002°
• γ: 70.6 ± 0.002°
• Cell volume: 863.73 ± 0.06 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No