Information card for entry 7102072

Structure parameters

• Formula: C19.88 H19 Cl N
• Calculated formula: C19.875 H19 Cl N
• Title of publication: Hydrogen-bonded cubanes and ladder fragments by analogy with the inorganic solid state.
• Authors of publication: Bond, Andrew D; Jørgensen, Wendie H; Pløger, Jane M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 31
• Pages of publication: 3273 - 3275
• a: 34.7 ± 0.002 Å
• b: 14.7258 ± 0.0009 Å
• c: 28.107 ± 0.002 Å
• α: 90°
• β: 103.85 ± 0.003°
• γ: 90°
• Cell volume: 13944.7 ± 1.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.1236
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1999
• 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: No