Information card for entry 7108230

Structure parameters

• Formula: C34 H41 Cl2 N3
• Calculated formula: C34 H41 Cl2 N3
• Title of publication: Selective encapsulation of volatile and reactive methyl iodide
• Authors of publication: Yih-Chern Horng; Pin-Shen Huang; Chang-Chih Hsieh; Chih-Hong Kuo; Ting-Shen Kuo
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8844
• a: 11.274 ± 0.005 Å
• b: 11.548 ± 0.006 Å
• c: 11.946 ± 0.006 Å
• α: 95.33 ± 0.03°
• β: 93.62 ± 0.04°
• γ: 99.07 ± 0.04°
• Cell volume: 1524.4 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2082
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No