Information card for entry 4038257

Structure parameters

• Formula: C30 H18 O2
• Calculated formula: C30 H18 O2
• Title of publication: Synthesis of C₇₀-fragment buckybowls bearing alkoxy substituents.
• Authors of publication: Yakiyama, Yumi; Hishikawa, Shota; Sakurai, Hidehiro
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2020
• Journal volume: 16
• Pages of publication: 681 - 690
• a: 17.382 ± 0.004 Å
• b: 7.2895 ± 0.0015 Å
• c: 28.978 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3671.7 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.424
• Residual factor for significantly intense reflections: 0.1319
• Weighted residual factors for significantly intense reflections: 0.2925
• Weighted residual factors for all reflections included in the refinement: 0.4008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No