Information card for entry 2103849

Structure parameters

• Chemical name: (1R,3S)-Camphoric acid‒N,N'-dimethylpiperazine‒water (3/1/2)
• Formula: C36 H66 N2 O14
• Calculated formula: C36 H66 N2 O14
• Title of publication: (1<i>R</i>,3<i>S</i>)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines
• Authors of publication: Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 118 - 131
• a: 13.573 ± 0.0004 Å
• b: 22.05 ± 0.0008 Å
• c: 6.8417 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2047.62 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes