Information card for entry 7111269

Structure parameters

• Formula: C42 H36 F2 N2 O4
• Calculated formula: C42 H34 F2 N2 O4
• Title of publication: Crystal engineering of the composition of pharmaceutical phases
• Authors of publication: Walsh, R. D. Bailey; Bradner, M. W.; Fleischman, S.; Morales, L. A.; Moulton, B.; Rodríguez-Hornedo, N.; Zaworotko, M. J.
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 2
• Pages of publication: 186
• a: 5.8697 ± 0.0009 Å
• b: 47.357 ± 0.007 Å
• c: 6.3587 ± 0.001 Å
• α: 90°
• β: 109.492 ± 0.003°
• γ: 90°
• Cell volume: 1666.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No