Information card for entry 2203250

Structure parameters

• Formula: C21 H28 I2 N2 O
• Calculated formula: C21 H28 I2 N2 O
• SMILES: [I-].[I-].O[C@H](c1c2ccccc2[n+](cc1)C)[C@H]1[N+]2(CC[C@@H](C1)[C@H](C2)C=C)C
• Title of publication: (11<i>R</i>)-(‒)-<i>N,N</i>'-Dimethylcinchonidinium diiodide
• Authors of publication: Yoshikawa, Naokazu; Takemoto, Keiko; Sakamoto, Jun; Kanehisa, Nobuko; Kai, Yasushi; Takashima, Hiroshi; Tsukahara, Keiichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o281 - o282
• a: 11.3103 ± 0.0004 Å
• b: 13.3106 ± 0.0003 Å
• c: 14.928 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2247.36 ± 0.12 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes