Information card for entry 7129942

Structure parameters

• Formula: C31 H29 F3 N2 O5
• Calculated formula: C31 H29 F3 N2 O5
• Title of publication: Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil
• Authors of publication: Mannava, M. K. Chaitanya; Bommaka, Manish K.; Dandela, Rambabu; Solomon, K. Anand; Nangia, Ashwini K.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.7 ± 0.002 Å
• b: 16.998 ± 0.003 Å
• c: 13.643 ± 0.002 Å
• α: 90°
• β: 99.744 ± 0.008°
• γ: 90°
• Cell volume: 2674.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No