Information card for entry 2231026

Structure parameters

• Chemical name: 1,3-Bis(naphthalen-2-ylmethyl)-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole- 2,6,11(3<i>H</i>)-trione
• Formula: C37 H24 N2 O3
• Calculated formula: C37 H24 N2 O3
• SMILES: O=C1c2ccc3N(C(=O)N(c3c2C(=O)c2c1cccc2)Cc1cc2ccccc2cc1)Cc1cc2ccccc2cc1
• Title of publication: 1,3-Bis(naphthalen-2-ylmethyl)-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione
• Authors of publication: Afrakssou, Zahra; Rodi, Youssef Kandri; Capet, Frédéric; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2138
• a: 8.0901 ± 0.0001 Å
• b: 12.8226 ± 0.0002 Å
• c: 26.1472 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2712.41 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes