Information card for entry 1518307

Structure parameters

• Formula: C38 H26 O
• Calculated formula: C38 H26 O
• SMILES: O=C1C=Cc2ccccc2C21C(=C(C(=C2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Palladium(II)-Catalyzed Oxidative Dearomatization of Free Naphthols with Two Alkyne Units.
• Authors of publication: Gu, Songlin; Luo, Lei; Liu, Jingjing; Bai, Lu; Zheng, Huayu; Wang, Yaoyu; Luan, Xinjun
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 6132
• a: 17.667 ± 0.002 Å
• b: 16.0607 ± 0.0019 Å
• c: 19.997 ± 0.003 Å
• α: 90°
• β: 99.748 ± 0.002°
• γ: 90°
• Cell volume: 5592.1 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1246
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No