Information card for entry 7111717

Structure parameters

• Formula: C46 H30 Cl4 N4 O6
• Calculated formula: C45.7 H27.8 Cl1.8 N4 O6
• 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: 3.8598 ± 0.0005 Å
• b: 14.4562 ± 0.0017 Å
• c: 18.4857 ± 0.0022 Å
• α: 105.228 ± 0.002°
• β: 94.344 ± 0.002°
• γ: 93.861 ± 0.002°
• Cell volume: 988.3 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No