Information card for entry 2205919

Structure parameters

• Chemical name: Propyl 3,5-dinitrobenzoate
• Formula: C10 H10 N2 O6
• Calculated formula: C10 H10 N2 O6
• Title of publication: Propyl 3,5-dinitrobenzoate
• Authors of publication: Jin Longfei; Xiao Fengping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1826 - o1827
• a: 11.0566 ± 0.0016 Å
• b: 11.3596 ± 0.0017 Å
• c: 11.4916 ± 0.0017 Å
• α: 117.554 ± 0.002°
• β: 99.937 ± 0.003°
• γ: 102.83 ± 0.002°
• Cell volume: 1182.7 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0833
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes