Information card for entry 7052757

Structure parameters

• Formula: C23 H25 Cl N3 O Rh
• Calculated formula: C23 H25 Cl N3 O Rh
• SMILES: [Rh]1(=C2N(C(=[N]1c1c(cccc1C)C)c1ccccc1)C=CN2C(C)(C)C)(Cl)C#[O]
• Title of publication: Investigation of ligand steric effects on a highly cis-selective Rh(i) cyclopropanation catalyst
• Authors of publication: Rosenberg, Marianne Lenes; Langseth, Eirin; Krivokapic, Alexander; Gupta, Nalinava Sen; Tilset, Mats
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2306
• a: 19.641 ± 0.0007 Å
• b: 47.28 ± 0.0014 Å
• c: 9.725 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9031 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 101 ± 1 kPa
• Ambient diffracton pressure: 101 ± 1 kPa
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No