Information card for entry 4073722

Structure parameters

• Common name: Cp*W(NO)(OCHiPr2)(Ph)
• Formula: C23 H35 N O2 W
• Calculated formula: C23 H35 N O2 W
• SMILES: [W]1234(N=O)(OC(C(C)C)C(C)C)([c]5([c]1([c]4([c]3([c]25C)C)C)C)C)c1ccccc1
• Title of publication: Investigations Directed at Catalytic Carbon−Carbon and Carbon−Oxygen Bond Formation via C−H Bond Activation
• Authors of publication: Blackmore, Ian J.; Semiao, Christopher J.; Buschhaus, Miriam S. A.; Patrick, Brian O.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 4881
• a: 8.2752 ± 0.0002 Å
• b: 18.3553 ± 0.0004 Å
• c: 15.2157 ± 0.0004 Å
• α: 90°
• β: 102.132 ± 0.001°
• γ: 90°
• Cell volume: 2259.55 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No