Information card for entry 7111718

Structure parameters

• Formula: C54 H40 Cl4 N2 O10
• Calculated formula: C54 H40 Cl4 N2 O10
• Title of publication: Supramolecular organization of extended benzobisoxazole cruciforms
• Authors of publication: Osowska, Karolina; Miljanić, Ognjen Š.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 4276 - 4278
• a: 8.9868 ± 0.0015 Å
• b: 9.9983 ± 0.0017 Å
• c: 14.506 ± 0.003 Å
• α: 99.874 ± 0.003°
• β: 93.339 ± 0.003°
• γ: 107.32 ± 0.003°
• Cell volume: 1217.6 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.109
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No