Information card for entry 4038256

Structure parameters

• Formula: C29 H14 O2
• Calculated formula: C29 H14 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: 17.274 ± 0.004 Å
• b: 7.4408 ± 0.0015 Å
• c: 27.913 ± 0.006 Å
• α: 90°
• β: 100.62 ± 0.03°
• γ: 90°
• Cell volume: 3526.3 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.3593
• Residual factor for significantly intense reflections: 0.1217
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No