Information card for entry 7127028

Structure parameters

• Formula: C16 H15 F
• Calculated formula: C16 H15 F
• SMILES: Fc1cc2c3c(cccc3)C(Cc2cc1)(C)C
• Title of publication: C(sp³)-H activation-enabled cross-coupling of two aryl halides: an approach to 9,10-dihydrophenanthrenes.
• Authors of publication: Gu, Yichao; Sun, Xueliang; Wan, Bin; Lu, Zhuoer; Zhang, Yanghui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 74
• Pages of publication: 10942 - 10945
• a: 14.697 ± 0.008 Å
• b: 5.79 ± 0.003 Å
• c: 14.578 ± 0.008 Å
• α: 90°
• β: 104.759 ± 0.019°
• γ: 90°
• Cell volume: 1199.6 ± 1.1 ų
• Cell temperature: 281 ± 2 K
• Ambient diffraction temperature: 281 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No