Information card for entry 1515111

Structure parameters

• Common name: 6satMesBr2
• Formula: C23 H29 Br2 Cl3 N2
• Calculated formula: C23 H29 Br2 Cl3 N2
• SMILES: BrC1=[N+](CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.ClC(Cl)Cl.[Br-]
• Title of publication: Homonuclear bond activation using a stable N,N′-diamidocarbene
• Authors of publication: Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 2986
• a: 18.893 ± 0.002 Å
• b: 8.2648 ± 0.0009 Å
• c: 17.927 ± 0.002 Å
• α: 90°
• β: 108.099 ± 0.002°
• γ: 90°
• Cell volume: 2660.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No