Information card for entry 1555220

Structure parameters

• Formula: C34 H24 O2
• Calculated formula: C34 H24 O2
• SMILES: O1Cc2c(c3c(cc2)cccc3)c2c(ccc3ccccc23)COc2c(c3c1cccc3)cccc2
• 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: 11.1679 ± 0.0002 Å
• b: 24.1852 ± 0.0005 Å
• c: 9.1499 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2471.37 ± 0.09 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No