Information card for entry 7110865

Structure parameters

• Common name: (-)-Nemorensic Acid
• Formula: C10 H16 O5
• Calculated formula: C10 H16 O5
• SMILES: O1[C@](C[C@@H]([C@@]1(C)C(=O)O)C)(CC(=O)O)C
• Title of publication: The synthesis of (+)-nemorensic acid
• Authors of publication: Donohoe, Timothy J.; Guillermin, Jean-Baptiste; Frampton, Christopher; Walter, Daryl S.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 465
• a: 8.4556 ± 0.0002 Å
• b: 11.4227 ± 0.0002 Å
• c: 11.4637 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1107.23 ± 0.04 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No