Information card for entry 2015450

Structure parameters

• Chemical name: N,N'-Diphenethylterephthalamide
• Formula: C24 H24 N2 O2
• Calculated formula: C24 H24 N2 O2
• SMILES: O=C(c1ccc(cc1)C(=O)NCCc1ccccc1)NCCc1ccccc1
• Title of publication: Two polymorphs of <i>N</i>,<i>N</i>'-diphenethylterephthalamide
• Authors of publication: Ossowski, Jerzy; Kuś, Piotr; Näther, Christian; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o369 - o371
• a: 19.688 ± 0.002 Å
• b: 5.0178 ± 0.0006 Å
• c: 10.1344 ± 0.0011 Å
• α: 90°
• β: 97.762 ± 0.002°
• γ: 90°
• Cell volume: 992.01 ± 0.19 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No