Information card for entry 2233990

Structure parameters

• Chemical name: 1-[(2-Hydroxyphenyl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C24 H28 N2 O3
• Calculated formula: C24 H28 N2 O3
• SMILES: Oc1c(c2ccccc2cc1)C(N1CCCC1)c1ccccc1O.N(C=O)(C)C
• Title of publication: 1-[(2-Hydroxyphenyl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Authors of publication: Wang, Wen-xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o884
• a: 13.675 ± 0.003 Å
• b: 9.6518 ± 0.0019 Å
• c: 16.505 ± 0.003 Å
• α: 90°
• β: 102.84 ± 0.03°
• γ: 90°
• Cell volume: 2124 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1656
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes