Information card for entry 7062830

Structure parameters

• Formula: C7 H6 N4 O
• Calculated formula: C7 H6 N4 O
• 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: 3.8205 ± 0.0002 Å
• b: 15.6562 ± 0.001 Å
• c: 12.191 ± 0.0008 Å
• α: 90°
• β: 94.496 ± 0.001°
• γ: 90°
• Cell volume: 726.95 ± 0.08 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: 0.0452
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No