Information card for entry 7241592

Structure parameters

• Formula: C19 H16 Br N O
• Calculated formula: C19 H16 Br N O
• 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: 9.8905 ± 0.0005 Å
• b: 10.1651 ± 0.0004 Å
• c: 16.7066 ± 0.0007 Å
• α: 104.665 ± 0.002°
• β: 94.546 ± 0.002°
• γ: 106.011 ± 0.002°
• Cell volume: 1541.69 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No