Information card for entry 4516515

Structure parameters

• Formula: C26 H14 F10 N2 O3
• Calculated formula: C26 H14 F10 N2 O3
• Title of publication: Finding the Perfect Match: Halogen vs Hydrogen Bonding
• Authors of publication: Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 4756
• a: 6.3949 ± 0.0002 Å
• b: 6.3949 ± 0.0002 Å
• c: 57.5399 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2353.08 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No