Information card for entry 7100374

Structure parameters

• Formula: C23 H23 N O8
• Calculated formula: C23 H23 N O8
• SMILES: O1[C@@]2(OCCCC2)[C@]2(O[C@@H]([C@@H]1COC(=O)c1ccc(N(=O)=O)cc1)CO2)c1ccccc1.O1[C@]2(OCCCC2)[C@@]2(O[C@H]([C@H]1COC(=O)c1ccc(N(=O)=O)cc1)CO2)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: 34.238 ± 0.008 Å
• b: 6.778 ± 0.002 Å
• c: 18.623 ± 0.01 Å
• α: 90°
• β: 109.64 ± 0.02°
• γ: 90°
• Cell volume: 4070 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No