Information card for entry 4020191

Structure parameters

• Formula: C28 H19 Br N2 O6
• Calculated formula: C28 H19 Br N2 O6
• SMILES: Brc1ccc([C@@H]2[C@]3([C@]4(OC2=O)C(=O)N(c2ccccc42)C(=O)C)C(=O)N(c2ccccc32)C(=O)C)cc1.Brc1ccc([C@H]2[C@@]3([C@@]4(OC2=O)C(=O)N(c2ccccc42)C(=O)C)C(=O)N(c2ccccc32)C(=O)C)cc1
• Authors of publication: Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 3850 - 3858
• a: 9.0982 ± 0.0001 Å
• b: 23.0174 ± 0.0001 Å
• c: 11.7352 ± 0.0002 Å
• α: 90°
• β: 96.273 ± 0.001°
• γ: 90°
• Cell volume: 2442.83 ± 0.05 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No