Information card for entry 2005878

Structure parameters

• Common name: N,N'-bis(4-metylbenzoyl)-p-phenylenediamine
• Chemical name: N,N'-bis(4-methylbenzoyl)-1,4-benzenediamine
• Formula: C22 H20 N2 O2
• Calculated formula: C22 H20 N2 O2
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-methylbenzoyl)-<i>p</i>-phenylenediamine at 200K
• Authors of publication: Nagel, N.; Näther, C.; Bock, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 79 - 81
• a: 5.3243 ± 0.0007 Å
• b: 6.9487 ± 0.0011 Å
• c: 12.1489 ± 0.0014 Å
• α: 83.429 ± 0.011°
• β: 87.055 ± 0.009°
• γ: 71.914 ± 0.009°
• Cell volume: 424.4 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.1011
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No