Information card for entry 4109907

Structure parameters

• Common name: 2CB7<L>I2.30H2O
• Formula: C114 H178 I2 N68 O62
• Calculated formula: C114 H118 I1.7362 N68 O32
• Title of publication: Refolding Foldamers: Triazene-Arylene Oligomers That Change Shape with Chemical Stimuli
• Authors of publication: Simin Liu; Peter Y. Zavalij; Yiu-Fai Lam; Lyle Isaacs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11232 - 11241
• a: 17.524 ± 0.002 Å
• b: 12.6638 ± 0.0015 Å
• c: 34.84 ± 0.004 Å
• α: 90°
• β: 90.641 ± 0.002°
• γ: 90°
• Cell volume: 7731.2 ± 1.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No