Information card for entry 4336493

Structure parameters

• Formula: C35 H41 I N2 O S2
• Calculated formula: C35 H41 I N2 O S2
• SMILES: S(c1n2c(c3[n+](c2)c(Sc2ccccc2)cc(c3)C(C)(C)C)cc(c1)C(C)(C)C)c1ccccc1.[I-].C1COCC1
• Title of publication: Synthesis of New Dipyrido-Annulated N-Heterocyclic Carbenes with Ortho Substituents
• Authors of publication: Shin-ichi Fuku-en; Junki Yamamoto; Mao Minoura; Satoshi Kojima; Yohsuke Yamamoto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11700 - 11702
• a: 24.288 ± 0.006 Å
• b: 10.971 ± 0.003 Å
• c: 25.321 ± 0.006 Å
• α: 90°
• β: 91.481 ± 0.004°
• γ: 90°
• Cell volume: 6745 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No