Information card for entry 2100909

Structure parameters

• Formula: C27 H30 N2 O4
• Calculated formula: C27 H30 N2 O4
• Title of publication: Optical resolution through diastereomeric salt formation: the crystal structures of cinchoninium (<i>R</i>)-mandelate and cinchoninium (<i>S</i>)-mandelate at low temperature
• Authors of publication: Larsen, S.; de Diego, H. L.; Kozma, D.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 310 - 316
• a: 11.2478 ± 0.001 Å
• b: 7.088 ± 0.0006 Å
• c: 14.684 ± 0.002 Å
• α: 90°
• β: 99.068 ± 0.007°
• γ: 90°
• Cell volume: 1156 ± 0.2 ų
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No