Information card for entry 2014352

Structure parameters

• Chemical name: meso-4,5-diphenyl-3,6-diazaoctane-1,8-diol
• Formula: C18 H24 N2 O2
• Calculated formula: C18 H24 N2 O2
• SMILES: OCCN[C@H]([C@@H](c1ccccc1)NCCO)c1ccccc1
• Title of publication: Hydrogen bonding in <i>meso</i>-4,5-diphenyl-3,6-diazaoctane-1,8-diol: the formation of one-dimensional linear chains of edge-fused rings
• Authors of publication: Dinçer, Muharrem; Özdemir, Namık; Saydam, Sinan; Bekaroğlu, Özer; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o89 - o91
• a: 17.585 ± 0.002 Å
• b: 6.8615 ± 0.0005 Å
• c: 13.9453 ± 0.0016 Å
• α: 90°
• β: 103.035 ± 0.01°
• γ: 90°
• Cell volume: 1639.3 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes