Information card for entry 2237552

Structure parameters

• Common name: 1,8-bis(2-naphthoyl)-2,7-diethoxynaphthalene
• Chemical name: {2,7-Diethoxy-8-[(naphthalen-2-yl)carbonyl]naphthalen-1-yl}(naphthalen-2-yl)methanone
• Formula: C36 H28 O4
• Calculated formula: C36 H28 O4
• SMILES: O(c1c(c2c(c(OCC)ccc2cc1)C(=O)c1ccc2ccccc2c1)C(=O)c1cc2ccccc2cc1)CC
• Title of publication: {2,7-Diethoxy-8-[(naphthalen-2-yl)carbonyl]naphthalen-1-yl}(naphthalen-2-yl)methanone
• Authors of publication: Tsumuki, Takehiro; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o369
• a: 7.86946 ± 0.00014 Å
• b: 27.1458 ± 0.0005 Å
• c: 12.849 ± 0.0002 Å
• α: 90°
• β: 102.267 ± 0.001°
• γ: 90°
• Cell volume: 2682.17 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes