Information card for entry 4038665

Structure parameters

• Formula: C30 H32 N12 O14
• Calculated formula: C30 H32 N12 O14
• Title of publication: Probing the Dynamic Covalent Chemistry Behavior of Nitrogen-Centered Di and Tri-Urazole Radicals.
• Authors of publication: Breton, Gary W.; Martin, Kenneth L.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 13.525 ± 0.0003 Å
• b: 14.4928 ± 0.0003 Å
• c: 20.6967 ± 0.0004 Å
• α: 80.1888 ± 0.0017°
• β: 78.9436 ± 0.0018°
• γ: 82.5255 ± 0.0018°
• Cell volume: 3903.38 ± 0.14 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No