Information card for entry 7218991

Structure parameters

• Formula: C21 H17 N O2
• Calculated formula: C21 H17 N O2
• SMILES: O[C@@H]1c2c(C3=C(C=C4N([C@@]13C)C(=O)c1c4cccc1)C)cccc2.O[C@H]1c2c(C3=C(C=C4N([C@]13C)C(=O)c1c4cccc1)C)cccc2
• 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: 8.3902 ± 0.0004 Å
• b: 9.4235 ± 0.0005 Å
• c: 10.5655 ± 0.0005 Å
• α: 68.634 ± 0.005°
• β: 86.055 ± 0.004°
• γ: 83.059 ± 0.004°
• Cell volume: 771.97 ± 0.07 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No