Information card for entry 4021044

Structure parameters

• Formula: C10 H16 O5
• Calculated formula: C10 H16 O5
• SMILES: O1[C@@]([C@@H](C[C@@]1(CC(=O)O)C)C)(C(=O)O)C.O1[C@]([C@H](C[C@]1(CC(=O)O)C)C)(C(=O)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: 10.9443 ± 0.0002 Å
• b: 12.8927 ± 0.0002 Å
• c: 31.0269 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4377.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No