Information card for entry 2014529

Structure parameters

• Formula: C20 H21 Cl N2 O5
• Calculated formula: C20 H21 Cl N2 O5
• SMILES: Clc1c(C2C(=C(NC3=C2C(=O)CC(C3)(C)C)C)C(=O)OC)cc(N(=O)=O)cc1
• Title of publication: Methyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate
• Authors of publication: Linden, Anthony; Şafak, Cihat; Aydın, Fırat
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o711 - o713
• a: 14.8737 ± 0.0002 Å
• b: 14.3865 ± 0.0002 Å
• c: 17.6287 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3772.2 ± 0.1 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No