Information card for entry 7153323

Structure parameters

• Formula: C10 H16 O4
• Calculated formula: C10 H16 O4
• SMILES: [C@]123CC[C@@H](O[C@H]1CCC[C@H]2O)O[C@H]3O.[C@@]123CC[C@H](O[C@@H]1CCC[C@@H]2O)O[C@@H]3O
• Title of publication: Biomimetically relevant self-condensations of C5 units derived from lysine.
• Authors of publication: Salame, Rim; Gravel, Edmond; Retailleau, Pascal; Poupon, Erwan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 2522 - 2528
• a: 6.28 ± 0.003 Å
• b: 7.095 ± 0.003 Å
• c: 11.413 ± 0.005 Å
• α: 97.531 ± 0.005°
• β: 102.847 ± 0.008°
• γ: 101.348 ± 0.006°
• Cell volume: 477.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No