Information card for entry 4100334

Structure parameters

• Formula: C27 H25 Br Cl2 N4 O10
• Calculated formula: C27 H25 Br Cl2 N4 O10
• SMILES: Brc1cc(OC)c(OC)cc1[C@H]1Oc2c([C@H]1C(=O)OC)c(ccc2OC)C=NNc1c(N(=O)=O)cc(N(=O)=O)cc1.ClCCl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 6.5428 ± 0.0003 Å
• b: 14.7024 ± 0.0008 Å
• c: 31.477 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3027.9 ± 0.3 ų
• Cell temperature: 143.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No