Information card for entry 7103572

Structure parameters

• Formula: C29 H27 Cl N O2 Rh S
• Calculated formula: C29 H27 Cl N O2 Rh S
• SMILES: C1(=[Rh](Cl)(C#[O])C#[O])N(C=CC1=S(c1ccc(cc1)C)c1ccc(cc1)C)c1c(cc(cc1C)C)C
• Title of publication: A novel ylide-stabilized carbene; formation and electron donating ability of an amino(sulfur-ylide)carbene.
• Authors of publication: Kobayashi, Junji; Nakafuji, Shin-ya; Yatabe, Atsushi; Kawashima, Takayuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6233 - 6235
• a: 9.903 ± 0.005 Å
• b: 11.13 ± 0.005 Å
• c: 13.844 ± 0.007 Å
• α: 88.329 ± 0.019°
• β: 77.738 ± 0.017°
• γ: 66.558 ± 0.014°
• Cell volume: 1365.5 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No