Information card for entry 7241590

Structure parameters

• Formula: C19 H16 N2 O3
• Calculated formula: C19 H16 N2 O3
• SMILES: O=C(NC(C)c1cc2ccccc2cc1)c1ccc(N(=O)=O)cc1
• 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: 5.2267 ± 0.0002 Å
• b: 28.5292 ± 0.0012 Å
• c: 10.3735 ± 0.0005 Å
• α: 90°
• β: 93.071 ± 0.003°
• γ: 90°
• Cell volume: 1544.61 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0667
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No