Information card for entry 1555218

Structure parameters

• Formula: C33 H23 Cl3 N2 O2
• Calculated formula: C33 H23 Cl3 N2 O2
• SMILES: O1Cc2c(c3c(cc2)cccc3)c2c(ccc3ccccc23)COc2c(nccc2)c2ncccc12.ClC(Cl)Cl
• Title of publication: Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.
• Authors of publication: Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 4098 - 4101
• a: 9.07268 ± 0.00016 Å
• b: 11.9732 ± 0.0002 Å
• c: 13.4535 ± 0.0003 Å
• α: 90°
• β: 106.945 ± 0.0007°
• γ: 90°
• Cell volume: 1397.99 ± 0.05 ų
• Cell temperature: 165 K
• Ambient diffraction temperature: 165 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No