Information card for entry 7100369

Structure parameters

• Formula: C31 H28 N2 O12
• Calculated formula: C31 H28 N2 O12
• SMILES: O1[C@@]2(O[C@@H]([C@H]1CO[C@@]12OCCCC1)[C@@H](OC(=O)c1ccc(N(=O)=O)cc1)COC(=O)c1ccc(N(=O)=O)cc1)c1ccccc1.O1[C@]2(O[C@H]([C@@H]1CO[C@]12OCCCC1)[C@H](OC(=O)c1ccc(N(=O)=O)cc1)COC(=O)c1ccc(N(=O)=O)cc1)c1ccccc1
• Title of publication: Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
• Authors of publication: B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.11 ± 0.002 Å
• b: 11.449 ± 0.002 Å
• c: 14.007 ± 0.003 Å
• α: 79.04 ± 0.02°
• β: 79.75 ± 0.01°
• γ: 70.44 ± 0.01°
• Cell volume: 1488.4 ± 0.5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No