Information card for entry 4021048

Structure parameters

• Formula: C10 H18 O3
• Calculated formula: C10 H18 O3
• SMILES: O1[C@]2(CC[C@@H]([C@@]1([C@@](C2)(O)C)C)O)C.O1[C@@]2(CC[C@H]([C@]1([C@](C2)(O)C)C)O)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: 5.9658 ± 0.0002 Å
• b: 12.6612 ± 0.0003 Å
• c: 13.5514 ± 0.0004 Å
• α: 90°
• β: 101.299 ± 0.0013°
• γ: 90°
• Cell volume: 1003.8 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