Information card for entry 7241626

Structure parameters

• Formula: C72 H88 N6
• Calculated formula: C72 H88 N6
• Title of publication: Preferential N‒H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes
• Authors of publication: Kinney, Zacharias J.; Rheingold, Arnold L.; Protasiewicz, John D.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 69
• Pages of publication: 42164 - 42171
• a: 12.2815 ± 0.0002 Å
• b: 10.7523 ± 0.0003 Å
• c: 23.4308 ± 0.0004 Å
• α: 90°
• β: 94.34 ± 0.001°
• γ: 90°
• Cell volume: 3085.27 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No