Information card for entry 7153442

Structure parameters

• Common name: 1-(1,1-bis(4-dimethylaminophenyl)vinyl)-3-phenyl-1H- naphtho(2,1-b)pyran
• Chemical name: 1-(1,1-bis(4-dimethylaminophenyl)vinyl)-3-phenyl-1H-naphtho[2,1-b]pyran
• Formula: C37 H34 N2 O
• Calculated formula: C37 H34 N2 O
• SMILES: O1C(=C[C@@H](c2c3ccccc3ccc12)/C=C(/c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)c1ccccc1
• Title of publication: The influence of a 1,1-diarylvinyl moiety on the photochromism of naphthopyrans.
• Authors of publication: Gabbutt, Christopher D.; Heron, B. Mark; Kilner, Colin; Kolla, Suresh B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4874 - 4883
• a: 10.9909 ± 0.001 Å
• b: 13.0053 ± 0.0011 Å
• c: 20.0553 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2866.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No