Information card for entry 7104532

Structure parameters

• Common name: (S)-2,5-dodecamethylene-1-methylimidazole_(+)-10- camphorsulfonic acid
• Chemical name: (S)-2,5-dodecamethylene-1-methylimidazole_(+)-10-camphorsulfonic acid
• Formula: C24 H40 N2 O4 S
• Calculated formula: C24 H40 N2 O4 S
• SMILES: n1(c2[nH+]cc1CCCCCCCCCC2)C.C1(=O)[C@@]2(CC[C@H](C1)C2(C)C)CS(=O)(=O)[O-]
• Title of publication: An enantiopure cyclophane-type imidazole with no central but planar chirality.
• Authors of publication: Ishida, Yasuhiro; Iwasa, Eriko; Matsuoka, Yuki; Miyauchi, Hiroyuki; Saigo, Kazuhiko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 3401 - 3403
• a: 23.772 ± 0.003 Å
• b: 14.7346 ± 0.0013 Å
• c: 30.466 ± 0.005 Å
• α: 90°
• β: 112.706 ± 0.0018°
• γ: 90°
• Cell volume: 9844 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No