Information card for entry 2213974

Structure parameters

• Chemical name: N-Methyl-1,2-diphenylcyclobuteno[3,4-a]naphthalene-2,3-dicarboximide
• Formula: C27 H19 N O2
• Calculated formula: C27 H19 N O2
• SMILES: CN1C(=O)C2=Cc3ccccc3[C@@H]3[C@@]2(C1=O)C(=C3c1ccccc1)c1ccccc1.CN1C(=O)C2=Cc3ccccc3[C@H]3[C@]2(C1=O)C(=C3c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-Methyl-1,2-diphenylcyclobuteno[3,4-<i>a</i>]naphthalene-2,3-dicarboximide
• Authors of publication: Qing-Jian Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2901 - o2901
• a: 10.763 ± 0.002 Å
• b: 7.9925 ± 0.0015 Å
• c: 23.438 ± 0.005 Å
• α: 90°
• β: 97.326 ± 0.003°
• γ: 90°
• Cell volume: 1999.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes