Information card for entry 1503254

Structure parameters

• Formula: C30 H36 Cl N3 O8
• Calculated formula: C30 H36 Cl N3 O8
• SMILES: C1(=O)[C@H]([C@@H]([C@](C(=O)NC(C)(C)C)(c2ccncc2)N1c1ccc(cc1)Cl)c1c(ccc(c1)OC)O)C(=O)OC.CO.O.C1(=O)[C@@H]([C@H]([C@@](C(=O)NC(C)(C)C)(c2ccncc2)N1c1ccc(cc1)Cl)c1c(ccc(c1)OC)O)C(=O)OC.CO.O
• Title of publication: One-pot syntheses of chromeno[3,4-c]pyrrole-3,4-diones via Ugi-4CR and intramolecular Michael addition.
• Authors of publication: Che, Chao; Li, Song; Jiang, Xianlong; Quan, Junmin; Lin, Shuo; Yang, Zhen
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4682 - 4685
• a: 10.171 ± 0.002 Å
• b: 10.807 ± 0.002 Å
• c: 15.41 ± 0.003 Å
• α: 96.13 ± 0.03°
• β: 103.5 ± 0.03°
• γ: 100.83 ± 0.03°
• Cell volume: 1597.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No