Information card for entry 7160146

Structure parameters

• Formula: C6 H6.67 F2 N2 O2.67
• Calculated formula: C6 H6.66667 F2 N2 O2.66667
• Title of publication: Azide-based <i>in situ</i> preparation of fused heterocyclic imines and their multicomponent reactions.
• Authors of publication: Paramonova, Polina; Lebedev, Rodion; Sokolov, Alexander; Dar'in, Dmitry; Kanov, Evgeny; Murtazina, Ramilya; Gainetdinov, Raul; Kalinin, Stanislav; Bakulina, Olga
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 41
• Pages of publication: 8328 - 8336
• a: 6.2237 ± 0.0002 Å
• b: 8.6358 ± 0.0003 Å
• c: 10.4449 ± 0.0004 Å
• α: 90.67 ± 0.003°
• β: 96.664 ± 0.003°
• γ: 95.213 ± 0.003°
• Cell volume: 555.14 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No