Information card for entry 7017449

Structure parameters

• Formula: C25 H31 N3
• Calculated formula: C25 H31 N3
• SMILES: [C]1N(C=CN1c1c(cc(cc1C)C)C)/C(=N\c1c(cccc1C)C)C(C)(C)C
• Title of publication: New stable aryl-substituted acyclic imino-N-heterocyclic carbene: synthesis, characterisation and coordination to early transition metals.
• Authors of publication: Larocque, Timothy G.; Badaj, Anna C.; Dastgir, Sarim; Lavoie, Gino G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 47
• Pages of publication: 12705 - 12712
• a: 8.5723 ± 0.0003 Å
• b: 11.8829 ± 0.0007 Å
• c: 12.3644 ± 0.0008 Å
• α: 70.656 ± 0.002°
• β: 88.378 ± 0.003°
• γ: 69.372 ± 0.003°
• Cell volume: 1106.61 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1269
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No