Information card for entry 2102241

Structure parameters

• Common name: quininium (R)-mandelate
• Chemical name: 6'-methoxy (8,9R)-cinchonan-9-ol
• Formula: C28 H32 N2 O5
• Title of publication: Quininium (<i>R</i>)-mandelate, a structure with large <i>Z</i>' described as an incommensurately modulated structure in (3+1)-dimensional superspace
• Authors of publication: Schönleber, Andreas; Chapuis, Gervais
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: 108 - 120
• a: 6.614 ± 0.003 Å
• b: 18.552 ± 0.007 Å
• c: 10.377 ± 0.004 Å
• α: 90°
• β: 107.47 ± 0.03°
• γ: 90°
• Cell volume: 1214.6 ± 0.9 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• Residual factor for all reflections: 0.1604
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No