Information card for entry 7121447

Structure parameters

• Formula: C50 H48 B F15 N3 O
• Calculated formula: C50 H48 B F15 N3 O
• Title of publication: An air-stable N-heterocyclic carbene iminoxyl borate radical zwitterion.
• Authors of publication: Kim, Youngsuk; Lee, Eunsung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 50
• Pages of publication: 6824 - 6827
• a: 14.812 ± 0.003 Å
• b: 20.438 ± 0.004 Å
• c: 15.737 ± 0.003 Å
• α: 90°
• β: 94.18 ± 0.03°
• γ: 90°
• Cell volume: 4751.4 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No