Information card for entry 7119931

Structure parameters

• Formula: C30 H29 F N2 O2
• Calculated formula: C30 H29 F N2 O2
• Title of publication: Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.
• Authors of publication: Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 33
• Pages of publication: 4601 - 4604
• a: 5.354 ± 0.0002 Å
• b: 8.3824 ± 0.0004 Å
• c: 13.8585 ± 0.0007 Å
• α: 96.477 ± 0.003°
• β: 93.829 ± 0.003°
• γ: 105.841 ± 0.003°
• Cell volume: 591.42 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No