Information card for entry 1572008

Structure parameters

• Chemical name: A
• Formula: C27 H17 N O
• Calculated formula: C27 H17 N O
• Title of publication: Charge-recombinative triplet sensitization of alkenes for DeMayo-type [2 + 2] cycloaddition.
• Authors of publication: Lee, Yunjeong; Jhun, Byung Hak; Woo, Sihyun; Kim, Seoyeon; Bae, Jaehan; You, Youngmin; Cho, Eun Jin
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 12058 - 12066
• a: 18.908 ± 0.004 Å
• b: 5.7056 ± 0.0012 Å
• c: 19.221 ± 0.004 Å
• α: 90°
• β: 115.935 ± 0.003°
• γ: 90°
• Cell volume: 1864.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2695
• Residual factor for significantly intense reflections: 0.2381
• Weighted residual factors for significantly intense reflections: 0.2681
• Weighted residual factors for all reflections included in the refinement: 0.2947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.699
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No