Information card for entry 8106860

Structure parameters

• Chemical name: 3,5-dinitro-1,3,5-oxadiazinane
• Formula: C3 H6 N4 O5
• Calculated formula: C3 H6 N4 O5
• Title of publication: The crystal structure of 3,5-dinitro-1,3,5-oxadiazinane, C3H6N4O5
• Authors of publication: Jing, Li; Jianlong, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 311 - 312
• a: 5.8128 ± 0.0013 Å
• b: 17.2389 ± 0.0014 Å
• c: 7.1072 ± 0.0006 Å
• α: 90°
• β: 112.056 ± 0.016°
• γ: 90°
• Cell volume: 660.07 ± 0.18 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No