Information card for entry 7102396

Structure parameters

• Formula: C25 H29 N O
• Calculated formula: C25 H29 N O
• SMILES: O(c1ccc(/C=C/C=C/c2ccc(C#N)cc2)cc1)CCCCCCCC
• Title of publication: Thermally reversible fluorescent polymorphs of alkoxy-cyano-substituted diphenylbutadienes: role of crystal packing in solid state fluorescence.
• Authors of publication: Davis, Riju; Rath, Nigam P; Das, Suresh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 1
• Pages of publication: 74 - 75
• a: 8.8931 ± 0.0008 Å
• b: 6.1431 ± 0.0005 Å
• c: 37.907 ± 0.003 Å
• α: 90°
• β: 91.066 ± 0.006°
• γ: 90°
• Cell volume: 2070.5 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.132
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No