Information card for entry 2009281

Structure parameters

• Formula: C20 H45 Cl I N4 O0.5
• Calculated formula: C21.5 H42 Cl I N4
• Title of publication: A cyclam-like macrocycle side-bridged by a propyl chain
• Authors of publication: Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2188 - 2190
• a: 8.8253 ± 0.0007 Å
• b: 11.5326 ± 0.0009 Å
• c: 14.3441 ± 0.0011 Å
• α: 69.839 ± 0.001°
• β: 77.083 ± 0.001°
• γ: 87.933 ± 0.001°
• Cell volume: 1334.45 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes