Information card for entry 1555222

Structure parameters

• Formula: C32 H22 N2 O2
• Calculated formula: C32 H22 N2 O2
• SMILES: O1Cc2ncccc2c2c(nccc2)COc2c(c3ccccc3cc2)c2c3c(cccc3)ccc12
• 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: 7.9491 ± 0.0005 Å
• b: 16.7592 ± 0.001 Å
• c: 18.1848 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2422.6 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No