Information card for entry 7107082

Structure parameters

• Formula: C30 H37 I N2
• Calculated formula: C30 H37 I N2
• SMILES: [I-].N1(C=[N+]([C@H](C1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(cc(cc1C)C)C
• Title of publication: A facile preparation of backbone-substituted, functionalized and chiral imidazolinium salts
• Authors of publication: Jun Zhang; Xiaolong Su; Jun Fu; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12541
• a: 13.2441 ± 0.0017 Å
• b: 15.93 ± 0.002 Å
• c: 27.319 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5763.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No