Information card for entry 7126799

Structure parameters

• Formula: C9 H10 N2
• Calculated formula: C9 H10 N2
• SMILES: n1(cnc2C=CCC=Cc12)C
• Title of publication: A tropylium annulated N-heterocyclic carbene.
• Authors of publication: Appel, Sebastian; Brüggemann, Peter; Ganter, Christian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 63
• Pages of publication: 9020 - 9023
• a: 6.0018 ± 0.0005 Å
• b: 8.6564 ± 0.0007 Å
• c: 14.5956 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 758.3 ± 0.11 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No