Information card for entry 2233103

Structure parameters

• Chemical name: 3,3'-(Ethane-1,2-diyl)bis(3,4-dihydro-2<i>H</i>-1,3-benzoxazine)
• Formula: C18 H20 N2 O2
• Calculated formula: C18 H20 N2 O2
• SMILES: C(N1COc2ccccc2C1)CN1COc2ccccc2C1
• Title of publication: 3,3'-(Ethane-1,2-diyl)bis(3,4-dihydro-2<i>H</i>-1,3-benzoxazine)
• Authors of publication: Rivera, Augusto; Camacho, Jairo; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o148
• a: 10.868 ± 0.002 Å
• b: 5.1693 ± 0.0013 Å
• c: 13.327 ± 0.003 Å
• α: 90°
• β: 102.623 ± 0.018°
• γ: 90°
• Cell volume: 730.6 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes