Information card for entry 2006122

Structure parameters

• Chemical name: 3-Acetamido-4-N-cyclooctylaminonitrobenzene
• Formula: C16 H23 N3 O3
• Calculated formula: C16 H23 N3 O3
• Title of publication: 3-Acetamido-4-(cyclooctylamino)nitrobenzene
• Authors of publication: González-Platas, J.; Ruiz-Pérez, C.; Torres, M.; Yanes, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 651 - 654
• a: 9.556 ± 0.003 Å
• b: 18.257 ± 0.003 Å
• c: 18.629 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3250.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c 21 b
• Hall space group symbol: P -2bc -2c
• Residual factor for all reflections: 0.1577
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections: 0.2117
• Weighted residual factors for significantly intense reflections: 0.157
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No