Information card for entry 7117469

Structure parameters

• Formula: C31 H10 Al F36 N O4 S
• Calculated formula: C31 H10 Al F36 N O4 S
• Title of publication: Bis(phenothiazine)arene diradicaloids: isolation, characterization and crystal structures
• Authors of publication: Xingyong Wang; Zaichao Zhang; You Song; Yuanting Su; Xinping Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 11822
• a: 14.2945 ± 0.0019 Å
• b: 19.666 ± 0.003 Å
• c: 19.9786 ± 0.0019 Å
• α: 90°
• β: 134.333 ± 0.006°
• γ: 90°
• Cell volume: 4017.3 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1055
• 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: No
• Has Fobs: No