Information card for entry 7100373

Structure parameters

• Formula: C16 H20 O4
• Calculated formula: C16 H20 O4
• SMILES: O1C[C@@H]2O[C@@](OCC2)([C@@]21OCCCC2)c1ccccc1.O1C[C@H]2O[C@](OCC2)([C@]21OCCCC2)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: 6.32 ± 0.006 Å
• b: 23.154 ± 0.016 Å
• c: 9.673 ± 0.006 Å
• α: 90°
• β: 105.89 ± 0.06°
• γ: 90°
• Cell volume: 1361.4 ± 1.8 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No