Information card for entry 4020245

Structure parameters

• Formula: C30 H28 Br2 Cl2 O10
• Calculated formula: C30 H28 Br2 Cl2 O10
• SMILES: Brc1ccc(O[C@@]23O[C@@](OCC)([C@@]4([C@]2([C@]4(Cl)Oc2ccc(Br)cc2)C(=O)OCC)C(=O)OCC)C(=C3C(=O)OCC)Cl)cc1.Brc1ccc(O[C@]23O[C@](OCC)([C@]4([C@@]2([C@@]4(Cl)Oc2ccc(Br)cc2)C(=O)OCC)C(=O)OCC)C(=C3C(=O)OCC)Cl)cc1
• Authors of publication: Ying Cheng; Qing Zhu; Quan Song Li; Otto Meth-Cohn
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4840 - 4846
• a: 17.79 ± 0.004 Å
• b: 7.9794 ± 0.0016 Å
• c: 22.872 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3246.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No