Information card for entry 1507665

Structure parameters

• Common name: 6-(8-(4-methoxyphenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene
• Chemical name: 6-(8-(4-methoxyphenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene
• Formula: C38 H28 O2
• Calculated formula: C38 H28 O2
• SMILES: O1c2c(cc(c3cccc4c3c(c3ccc(OC)cc3)ccc4)cc2)C=CC1(c1ccccc1)c1ccccc1
• Title of publication: Through-space control of the persistence of photogenerated o-quinonoid intermediates in naphthalenes containing cofacially oriented chromenes and arenes.
• Authors of publication: Moorthy, Jarugu Narasimha; Mandal, Susovan; Parida, Keshaba Nanda
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2438 - 2441
• a: 16.815 ± 0.004 Å
• b: 10.498 ± 0.003 Å
• c: 15.113 ± 0.004 Å
• α: 90°
• β: 94.888 ± 0.006°
• γ: 90°
• Cell volume: 2658.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.2566
• Residual factor for significantly intense reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.3103
• Weighted residual factors for all reflections included in the refinement: 0.3989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No