Information card for entry 2019293

Structure parameters

• Chemical name: 1,8-Dibenzoyl-2,7-dihydroxynaphthalene
• Formula: C24 H16 O4
• Calculated formula: C24 H16 O4
• SMILES: O=C(c1c(O)ccc2c1c(c(cc2)O)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Head-to-tail square-shaped cyclic hydrogen bonds leading to dimeric aggregates: 1,8-dibenzoyl-2,7-dihydroxynaphthalene and a comparison with its analogous benzoylnaphthalene
• Authors of publication: Mohri, Saki; Yoshiwaka, Sayaka; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1541 - 1544
• a: 8.502 ± 0.003 Å
• b: 15.446 ± 0.005 Å
• c: 27.071 ± 0.01 Å
• α: 90°
• β: 96.226 ± 0.004°
• γ: 90°
• Cell volume: 3534 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No