Information card for entry 2008415

Structure parameters

• Common name: N,N'-bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine
• Formula: C28 H28 N2 O2
• Calculated formula: C28 H28 N2 O2
• SMILES: Oc1ccccc1CN[C@H]([C@@H](c1ccccc1)NCc1ccccc1O)c1ccccc1
• Title of publication: (<i>RS</i>,<i>SR</i>)-<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine
• Authors of publication: Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: IUC9900030
• a: 7.361 ± 0.003 Å
• b: 16.269 ± 0.004 Å
• c: 9.622 ± 0.003 Å
• α: 90°
• β: 97.6 ± 0.03°
• γ: 90°
• Cell volume: 1142.2 ± 0.7 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No