Information card for entry 3000417

Structure parameters

• Formula: C13 H17 B N6
• Authors of publication: Toms Rekis
• Journal of publication: To be published
• a: 8.9447 ± 0.0001 Å
• b: 10.3069 ± 0.0002 Å
• c: 17.2111 ± 0.0004 Å
• α: 90°
• β: 97.4652 ± 0.0016°
• γ: 90°
• Cell volume: 1573.28 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.5 Å
• Diffraction radiation type: synchrotron
• Has coordinates: No
• Has disorder: No
• Has Fobs: No