Information card for entry 1506628

Structure parameters

• Formula: C27 H51 Cl N4 O7 Rh2
• Calculated formula: C27 H51 Cl N4 O7 Rh2
• SMILES: [Rh]1234([Rh](OC5=[N]1CCCCC5)([N]1=C(O2)CCCCC1)([N]1=C(O3)CCCCC1)(OC1=[N]4CCCCC1)OC)Cl.CO.CO
• Title of publication: Efficient aziridination of olefins catalyzed by mixed-valent dirhodium(II,III) caprolactamate.
• Authors of publication: Catino, Arthur J.; Nichols, Jason M.; Forslund, Raymond E.; Doyle, Michael P.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 13
• Pages of publication: 2787 - 2790
• a: 8.3834 ± 0.0005 Å
• b: 18.8291 ± 0.0011 Å
• c: 10.2686 ± 0.0006 Å
• α: 90°
• β: 98.088 ± 0.001°
• γ: 90°
• Cell volume: 1604.79 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No