Information card for entry 2217917

Structure parameters

• Chemical name: 2,7-Bis(4-acetylphenoxy)naphthalene
• Formula: C26 H20 O4
• Calculated formula: C26 H20 O4
• SMILES: O(c1cc2cc(Oc3ccc(cc3)C(=O)C)ccc2cc1)c1ccc(cc1)C(=O)C
• Title of publication: 2,7-Bis(4-acetylphenoxy)naphthalene
• Authors of publication: Nakaema, Kosuke; Imaizumi, Masahiro; Noguchi, Keiichi; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o747
• a: 5.8691 ± 0.0002 Å
• b: 7.9105 ± 0.0002 Å
• c: 21.404 ± 0.0005 Å
• α: 90.322 ± 0.002°
• β: 95.534 ± 0.002°
• γ: 102.283 ± 0.002°
• Cell volume: 966.11 ± 0.05 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0559
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes