Information card for entry 7233496

Structure parameters

• Formula: C48 H30 N2
• Calculated formula: C47.892 H29.91 N2
• Title of publication: Quinoxaline based D-A-D molecules: high contrast reversible solid-state mechano- and thermo-responsive fluorescent materials
• Authors of publication: Rajeswara Rao M; Chia-Wei Liao; Wei-Lin Su; Shih-Sheng Sun
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 5491 - 5501
• a: 8.1522 ± 0.0002 Å
• b: 26.7993 ± 0.0007 Å
• c: 16.6605 ± 0.0004 Å
• α: 90°
• β: 95.25 ± 0.001°
• γ: 90°
• Cell volume: 3624.6 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No