Information card for entry 4021046

Structure parameters

• Common name: (1'R*,5'R*,7'R*)-dispiro(1,3-dioxolane-2,2'-(1',5'-dimethyl- 8'-oxa-bicyclo(3.2.1)octane)-7',2''-oxirane)
• Formula: C12 H18 O4
• Calculated formula: C12 H18 O4
• SMILES: O1[C@]2(CCC3([C@@]1([C@@]1(C2)OC1)C)OCCO3)C.O1[C@@]2(CCC3([C@]1([C@]1(C2)OC1)C)OCCO3)C
• Title of publication: Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions
• Authors of publication: David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8796 - 8803
• a: 12.7237 ± 0.0003 Å
• b: 8.2796 ± 0.0002 Å
• c: 10.8451 ± 0.0002 Å
• α: 90°
• β: 99.5173 ± 0.0011°
• γ: 90°
• Cell volume: 1126.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No