Information card for entry 4073605

Structure parameters

• Formula: C27 H32 Br N2 O Rh
• Calculated formula: C27 H32 Br N2 O Rh
• SMILES: [Rh]123(Br)(=C4N(OCc5ccccc5)C(=C(N4Cc4ccccc4)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: N-Alkoxyimidazolylidene Transition-Metal Complexes: Application to [5+2] and [4+2] Cycloaddition Reactions
• Authors of publication: Gómez, Fernando J.; Kamber, Nahrain E.; Deschamps, Nicole M.; Cole, Adam P.; Wender, Paul A.; Waymouth, Robert M.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4541
• a: 10.8335 ± 0.001 Å
• b: 23.564 ± 0.002 Å
• c: 12.1408 ± 0.0011 Å
• α: 90°
• β: 113.284 ± 0.001°
• γ: 90°
• Cell volume: 2846.9 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.0732
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No