Information card for entry 7100370

Structure parameters

• Formula: C15 H18 O4
• Calculated formula: C15 H18 O4
• SMILES: O1C[C@H]2O[C@](OC2)([C@]21OCCCC2)c1ccccc1.O1[C@@]2(OC[C@@H]3O[C@]2(OC3)c2ccccc2)CCCC1
• 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: 8.56 ± 0.0016 Å
• b: 12.14 ± 0.002 Å
• c: 25.374 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2636.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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