Information card for entry 2103846

Structure parameters

• Chemical name: (1R,3S)-Camphoric acid‒1,4-diazabicyclo[2.2.2]octane‒water (1/1/1)
• Formula: C16 H30 N2 O5
• Calculated formula: C16 H30 N2 O5
• 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: 7.031 ± 0.0003 Å
• b: 11.252 ± 0.0005 Å
• c: 21.8177 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1726.06 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes