Information card for entry 7157544

Structure parameters

• Formula: C56 H32
• Calculated formula: C56 H32
• Title of publication: Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.
• Authors of publication: Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4949 - 4955
• a: 7.662 ± 0.0016 Å
• b: 15.949 ± 0.0011 Å
• c: 14.374 ± 0.002 Å
• α: 90°
• β: 99.232 ± 0.004°
• γ: 90°
• Cell volume: 1733.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.76 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No