Information card for entry 8106637

Structure parameters

• Formula: C10 H15 N3 O2
• Calculated formula: C10 H15 N3 O2
• Title of publication: The crystal structure of tert-butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate, C10H15N3O2
• Authors of publication: Wang, Kun-Yan; Yang, Xiao-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 669 - 670
• a: 10.9501 ± 0.0014 Å
• b: 9.2193 ± 0.0009 Å
• c: 11.2149 ± 0.0014 Å
• α: 90°
• β: 103.648 ± 0.004°
• γ: 90°
• Cell volume: 1100.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0759
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No