Information card for entry 7153492

Structure parameters

• Common name: 12-Hydroxy-5-methyl-11b,12-dihydro-11a-aza-indeno(2,1- a)fluoren-11-one
• Chemical name: 12-Hydroxy-5-methyl-11b,12-dihydro-11a-aza-indeno[2,1-a]fluoren-11-one
• Formula: C20 H15 N O2
• Calculated formula: C20 H15 N O2
• SMILES: O[C@@H]1c2c(cccc2)C2=C(C)C=C3N(C(=O)c4ccccc34)[C@@H]12
• Title of publication: Synthesis of new pentacyclic chromophores through a highly regio- and diastereoselective cascade process.
• Authors of publication: Chamas, Zein el abidine; Dietz, Olivier; Aubert, Emmanuel; Fort, Yves; Mamane, Victor
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4815 - 4818
• a: 4.0331 ± 0.00007 Å
• b: 15.7754 ± 0.0002 Å
• c: 22.1253 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1407.69 ± 0.04 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No