Information card for entry 7241594

Structure parameters

• Formula: C38 H32 Br F N2 O2
• Calculated formula: C38 H32 Br F N2 O2
• Title of publication: Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides
• Authors of publication: Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 210 - 215
• a: 9.9188 ± 0.0006 Å
• b: 10.2275 ± 0.0006 Å
• c: 15.9392 ± 0.0009 Å
• α: 102.789 ± 0.002°
• β: 93.699 ± 0.002°
• γ: 106.801 ± 0.002°
• Cell volume: 1495.16 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No