Information card for entry 2237680

Structure parameters

• Common name: 1,8-Bis(1-naphthoyl)-2,7-diethoxynaphthalene
• Chemical name: {2,7-Diethoxy-8-[(naphthalen-1-yl)carbonyl]naphthalen-1-yl}(naphthalen-1-yl)methanone
• Formula: C36 H28 O4
• Calculated formula: C36 H28 O4
• SMILES: O=C(c1c(OCC)ccc2ccc(OCC)c(c12)C(=O)c1cccc2ccccc12)c1cccc2ccccc12
• Title of publication: {2,7-Diethoxy-8-[(naphthalen-1-yl)carbonyl]naphthalen-1-yl}(naphthalen-1-yl)methanone
• Authors of publication: Tsumuki, Takehiro; Takeuchi, Ryo; Kawano, Hiroyuki; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o495 - o496
• a: 8.76532 ± 0.00016 Å
• b: 11.4266 ± 0.0002 Å
• c: 14.1972 ± 0.0003 Å
• α: 99.08 ± 0.001°
• β: 99.036 ± 0.001°
• γ: 104.277 ± 0.001°
• Cell volume: 1331.94 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes