Information card for entry 7112016

Structure parameters

• Formula: C35 H33 N
• Calculated formula: C35 H33 N
• SMILES: Nc1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1
• Title of publication: A singly bonded amido-distannyne: H2 activation and isocyanide coordination
• Authors of publication: Terrance J. Hadlington; Cameron Jones
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2321
• a: 5.7642 ± 0.0003 Å
• b: 18.6519 ± 0.0009 Å
• c: 24.6623 ± 0.0013 Å
• α: 90°
• β: 91.236 ± 0.005°
• γ: 90°
• Cell volume: 2650.9 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0747
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No