Information card for entry 7156738

Structure parameters

• Formula: C10 H8 Cl2 O4
• Calculated formula: C10 H8 Cl2 O4
• Title of publication: Total synthesis of spiromastilactone A.
• Authors of publication: Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3819 - 3824
• a: 7.1904 ± 0.0015 Å
• b: 17.064 ± 0.004 Å
• c: 8.726 ± 0.0019 Å
• α: 90°
• β: 100.039 ± 0.004°
• γ: 90°
• Cell volume: 1054.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No