Information card for entry 4125698

Structure parameters

• Formula: C13 H7 Cl2 F O2
• Calculated formula: C13 H7 Cl2 F O2
• SMILES: Fc1c(C(=O)Oc2ccc(cc2)Cl)ccc(c1)Cl
• Title of publication: Crystal Engineering of Hand-Twisted Helical Crystals.
• Authors of publication: Saha, Subhankar; Desiraju, Gautam R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 5
• Pages of publication: 1975 - 1983
• a: 11.962 ± 0.013 Å
• b: 3.883 ± 0.004 Å
• c: 13.154 ± 0.015 Å
• α: 90°
• β: 104.983 ± 0.015°
• γ: 90°
• Cell volume: 590.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No