Information card for entry 4504872

Structure parameters

• Chemical name: 3-fluoren-9-ylidene-2-[9-(3-oxo-3-(4-methylphenyl)-prop-1-ynyl)-9H-fluoren-9-yl]-1-(4-methylphenyl)-propenone DMSO solvate
• Formula: C48 H36 O3 S
• Calculated formula: C48 H36 O3 S
• Title of publication: Photochromic Crystals: Toward an Understanding of Color Development in the Solid State
• Authors of publication: Scott, Janet L.; Tanaka, Koichi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1209
• a: 12.1597 ± 0.0002 Å
• b: 19.8671 ± 0.0004 Å
• c: 15.6274 ± 0.0002 Å
• α: 90°
• β: 93.923 ± 0.001°
• γ: 90°
• Cell volume: 3766.39 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.1686
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No