Information card for entry 7230530

Structure parameters

• Formula: C9 H6.5 F1.51 O2
• Calculated formula: C9 H6.495 F1.505 O2
• Title of publication: Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe
• Authors of publication: Chakraborty, Shaunak; Desiraju, Gautam R.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 20
• Pages of publication: 2793
• a: 3.783 ± 0.006 Å
• b: 6.316 ± 0.01 Å
• c: 16.16 ± 0.03 Å
• α: 86.25 ± 0.02°
• β: 85.69 ± 0.04°
• γ: 87.28 ± 0.03°
• Cell volume: 383.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No