Information card for entry 7062832

Structure parameters

• Formula: C12 H15 N3 O3
• Calculated formula: C12 H15 N3 O3
• Title of publication: A mild and efficient synthesis of aminofurazans
• Authors of publication: Sheremetev, Aleksei B.; Kozeev, Andrei S.; Palysaeva, Nadezhda V.; Suponitsky, Kyrill Yu.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 21091 - 21097
• a: 12.3025 ± 0.0007 Å
• b: 11.302 ± 0.0007 Å
• c: 10.0707 ± 0.0006 Å
• α: 90°
• β: 113.471 ± 0.001°
• γ: 90°
• Cell volume: 1284.4 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No