Information card for entry 7062831

Structure parameters

• Formula: C6 H5 N3 O S
• Calculated formula: C6 H5 N3 O S
• 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: 5.4688 ± 0.0007 Å
• b: 6.1708 ± 0.0008 Å
• c: 20.871 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 704.33 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No