Information card for entry 4031285

Structure parameters

• Formula: C21 H17 Cl
• Calculated formula: C21 H17 Cl
• SMILES: c12c3ccccc3C(c1cccc2)CCc1ccc(cc1)Cl
• Title of publication: Pd(0)-Catalyzed Cross-Coupling of 1,1-Diboronates with 2,2'-Dibromobiphenyls: Synthesis of 9H-Fluorenes.
• Authors of publication: Xu, Shuai; Shangguan, Xianghang; Li, Huan; Zhang, Yan; Wang, Jianbo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 15
• Pages of publication: 7779 - 7784
• a: 17.0568 ± 0.0011 Å
• b: 5.3536 ± 0.0003 Å
• c: 18.9471 ± 0.0012 Å
• α: 90°
• β: 114.21 ± 0.008°
• γ: 90°
• Cell volume: 1577.99 ± 0.19 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 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: 0.0605
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No