Information card for entry 7158555

Structure parameters

• Formula: C15 H26 O4
• Calculated formula: C15 H26 O4
• Title of publication: Access to valuable building blocks by regio-and enantioselective ring-opening of itaconic anhydride using lipase catalysis.
• Authors of publication: BRAIA, Nabila; Merabet-Khelassi, Mounia; TOFFANO, martial; Guillot, Régis; Aribi-Zouioueche, Louisa
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 5.3029 ± 0.0014 Å
• b: 5.4415 ± 0.0015 Å
• c: 28.824 ± 0.008 Å
• α: 87.791 ± 0.009°
• β: 87.437 ± 0.009°
• γ: 66.595 ± 0.008°
• Cell volume: 762.3 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.28
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No