Information card for entry 7245645

Structure parameters

• Formula: C25 H28 F N3 O5
• Calculated formula: C25 H28 F N3 O5
• Title of publication: Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects
• Authors of publication: Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 26.6114 ± 0.0005 Å
• b: 15.8766 ± 0.0003 Å
• c: 5.4278 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2293.24 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No