Information card for entry 2202177

Structure parameters

• Formula: C42 H54 N4 O10
• Calculated formula: C42 H54 N4 O10
• SMILES: c12c(c(ccn2)[C@@H](O)[C@H]2[NH+]3CC[C@@H](C2)[C@H](C3)C=C)cccc1.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].O.c12ccccc1c(ccn2)[C@@H](O)[C@H]1[NH+]2CC[C@@H](C1)[C@H](C2)C=C.O
• Title of publication: Bis(cinchonidinium) <small>L</small>-tartrate dihydrate
• Authors of publication: Zhang, Hui; Lin, Zhong-Yu; Zhou, Zhao-Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o183 - o185
• a: 19.96 ± 0.003 Å
• b: 6.625 ± 0.002 Å
• c: 15.53 ± 0.002 Å
• α: 90°
• β: 106.68 ± 0.01°
• γ: 90°
• Cell volume: 1967.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No