Information card for entry 4134997

Structure parameters

• Formula: C88 H96 O8
• Calculated formula: C88 H96 O8
• Title of publication: Enantioselective Synthesis of Planar Chiral Zigzag-Type Cyclophenylene Belts by Rhodium-Catalyzed Alkyne Cyclotrimerization.
• Authors of publication: Nogami, Juntaro; Tanaka, Yusuke; Sugiyama, Haruki; Uekusa, Hidehiro; Muranaka, Atsuya; Uchiyama, Masanobu; Tanaka, Ken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 21
• Pages of publication: 9834 - 9842
• a: 17.6169 ± 0.0004 Å
• b: 15.2269 ± 0.0004 Å
• c: 29.4261 ± 0.0006 Å
• α: 90°
• β: 102.281 ± 0.001°
• γ: 90°
• Cell volume: 7712.9 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• 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: 0.2105
• Residual factor for significantly intense reflections: 0.1574
• Weighted residual factors for significantly intense reflections: 0.3985
• Weighted residual factors for all reflections included in the refinement: 0.4436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No