Information card for entry 2241045

Structure parameters

• Chemical name: 1-{[1<i>H</i>-Naphtho[1,2-<i>e</i>][1,3]oxazin-2(3<i>H</i>)-yl]methyl}\ naphthalen-2-ol
• Formula: C23 H19 N O2
• Calculated formula: C23 H19 N O2
• SMILES: O1CN(Cc2c1ccc1c2cccc1)Cc1c(O)ccc2ccccc12
• Title of publication: Crystal structure of 1-[(2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazin-2-yl)methyl]naphthalen-2-ol: a possible candidate for new polynaphthoxazine materials
• Authors of publication: Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: 1089 - 1092
• a: 9.657 ± 0.0012 Å
• b: 9.7609 ± 0.0007 Å
• c: 18.79 ± 0.002 Å
• α: 90°
• β: 102.331 ± 0.01°
• γ: 90°
• Cell volume: 1730.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0914
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes