Information card for entry 7218989

Structure parameters

• Formula: C26.5 H18 Cl N O3
• Calculated formula: C26.5 H18 Cl N O3
• SMILES: ClCCl.O=C1c2ccccc2C2=CC=C3[C@](c4ccc(C=O)cc4)(N12)[C@@H](O)c1ccccc31.O=C1N2[C@@]3(c4ccc(cc4)C=O)[C@H](O)c4c(cccc4)C3=CC=C2c2c1cccc2
• 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: 26.5772 ± 0.0004 Å
• b: 11.8718 ± 0.0002 Å
• c: 12.8742 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4062.06 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No