Information card for entry 2007884

Structure parameters

• Chemical name: 3,6-dichlorophthalic anhydride
• Formula: C8 H2 Cl2 O3
• Calculated formula: C8 H2 Cl2 O3
• SMILES: Clc1c2c(c(Cl)cc1)C(=O)OC2=O
• Title of publication: 3,6-Dichlorophthalic Anhydride
• Authors of publication: Britton, Doyle
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1892 - 1894
• a: 7.998 ± 0.005 Å
• b: 5.413 ± 0.002 Å
• c: 19.435 ± 0.005 Å
• α: 90°
• β: 100.06 ± 0.04°
• γ: 90°
• Cell volume: 828.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.098
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes