Information card for entry 1559008

Structure parameters

• Formula: C24 H18 O
• Calculated formula: C24 H18 O
• SMILES: O=C1C=Cc2ccccc2C21c1ccccc1c1c2c(cc(c1)C)C
• Title of publication: Two-in-One Strategy for Fluorene-Based Spirocycles via Pd(0)-Catalyzed Spiroannulation of o-Iodobiaryls with Bromonaphthols
• Authors of publication: Tan, Bojun; Liu, Long; Zheng, Huayu; Cheng, Tianyi; Zhu, Dianhu; Yang, Xiaofeng; Luan, Xinjun
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 29.083 ± 0.012 Å
• b: 9.001 ± 0.004 Å
• c: 13.882 ± 0.006 Å
• α: 90°
• β: 103.729 ± 0.008°
• γ: 90°
• Cell volume: 3530 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No