Information card for entry 4021045

Structure parameters

• Formula: C10 H16 O3
• Calculated formula: C10 H16 O3
• SMILES: O1[C@@]2(C(=O)CC[C@]1([C@H](O)[C@H]2C)C)C.O1[C@]2(C(=O)CC[C@@]1([C@@H](O)[C@@H]2C)C)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: 7.2339 ± 0.0001 Å
• b: 7.5773 ± 0.0002 Å
• c: 17.8539 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 978.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No