Information card for entry 7218990

Structure parameters

• Formula: C25 H17 N O2
• Calculated formula: C25 H17 N O2
• SMILES: O[C@@H]1[C@]2(N3C(=O)c4c(C3=CC=C2c2c1cccc2)cccc4)c1ccccc1.O[C@H]1[C@@]2(N3C(=O)c4c(C3=CC=C2c2c1cccc2)cccc4)c1ccccc1
• Title of publication: Synthesis and Solid-state Fluorescence Properties of Pentacyclic 7-Substituted-indeno[1’,2’:4,5]pyrido[2,1-a]isoindol-5-ones
• Authors of publication: Chamas, Zein; Marchi, Enrico; Presson, Benjamin; Aubert, Emmanuel; Fort, Yves; Ceroni, Paola; Mamane, Victor
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.6552 ± 0.0003 Å
• b: 8.1691 ± 0.0002 Å
• c: 20.6721 ± 0.0006 Å
• α: 90°
• β: 104.472 ± 0.003°
• γ: 90°
• Cell volume: 1742.28 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 109.95 ± 0.1 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: 0.0379
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No