Information card for entry 2022767

Structure parameters

• Chemical name: 1-(4,5-Dimethoxy-2,3-dinitrophenyl)-2-methylpropyl <i>N</i>-butylcarbamate
• Formula: C17 H25 N3 O8
• Calculated formula: C17 H25 N3 O8
• Title of publication: Synthesis and structure of photodegradable 1-(4,5-dimeth-oxy-2,3-di-nitro-phen-yl)-2-methyl-propyl <i>N</i>-butyl-carbamate.
• Authors of publication: Honda, Takafumi; Ito, Michiko; Yamaguchi, Kazuo; Kasuga, Noriko Chikaraishi; Sato, Hiroyasu
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 6
• Pages of publication: 549 - 551
• a: 9.949 ± 0.0004 Å
• b: 19.9223 ± 0.0008 Å
• c: 10.2378 ± 0.0004 Å
• α: 90°
• β: 97.616 ± 0.004°
• γ: 90°
• Cell volume: 2011.3 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes