Information card for entry 7153493

Structure parameters

• Formula: C44 H37 N3 O8
• Calculated formula: C44 H37 N3 O8
• SMILES: O=C1N2C(=CC=C3[C@H]2[C@@H](O)c2cc(OC)ccc32)c2c1cc(OC)cc2.O[C@H]1[C@@H]2N3C(=CC=C2c2c1cc(OC)cc2)c1ccc(OC)cc1C3=O.N#CC
• 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: 5.6129 ± 0.0001 Å
• b: 19.2298 ± 0.0003 Å
• c: 32.3685 ± 0.0005 Å
• α: 90°
• β: 93.166 ± 0.001°
• γ: 90°
• Cell volume: 3488.36 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0485
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No