Information card for entry 4082196

Structure parameters

• Chemical name: PhC(NOtBu)Ph
• Formula: C17 H19 N O
• Calculated formula: C17 H19 N O
• SMILES: C(C)(C)(C)ON=C(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound
• Authors of publication: Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7520
• a: 8.46178 ± 0.00011 Å
• b: 10.8796 ± 0.00015 Å
• c: 15.6091 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1436.99 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.031
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9227
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No