Information card for entry 2004782

Structure parameters

• Formula: C20 H20 N2 O2
• Calculated formula: C20 H20 N2 O2
• SMILES: Oc1ccccc1CN(Cc1ccccc1O)Cc1ccccn1
• Title of publication: <i>N</i>,<i>N</i>-Bis(2-hydroxybenzyl)-<i>N</i>-(2-pyridylmethyl)amine, H~2~BBPA
• Authors of publication: Vencato, I.; Neves, A.; Ceccato, A. S.; Horn, Jnr, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 949 - 951
• a: 11.494 ± 0.001 Å
• b: 6.263 ± 0.001 Å
• c: 12.479 ± 0.001 Å
• α: 90°
• β: 111.01 ± 0.01°
• γ: 90°
• Cell volume: 838.6 ± 0.18 ų
• Cell temperature: 298 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: 0.129
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for significantly intense reflections: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No