Information card for entry 8102596

Structure parameters

• Chemical name: 2,2-bis(4-chlorophenoxy)benzo[d][1,3]dioxole, C~19~H~12~Cl~2~O~4~
• Formula: C19 H12 Cl2 O4
• Calculated formula: C19 H12 Cl2 O4
• SMILES: c1(ccc(cc1)OC1(Oc2ccc(cc2)Cl)Oc2c(cccc2)O1)Cl
• Title of publication: Crystal structure of 2,2-bis(4-chlorophenoxy)benzo[d][1,3]dioxole, C19H12Cl2O4
• Authors of publication: Chenzhong Cao; Yueping Shan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 723
• a: 6.3193 ± 0.0006 Å
• b: 10.1109 ± 0.001 Å
• c: 26.565 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1697.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No