Information card for entry 7127515

Structure parameters

• Formula: C47 H48 O6
• Calculated formula: C47 H48 O6
• Title of publication: Phenanthrenes/dihydrophenanthrenes: the selectivity controlled by different benzynes and allenes.
• Authors of publication: Yao, Liangliang; Fang, Bo; Hu, Qiong; Lei, Yu; Bao, Li; Hu, Yimin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 96
• Pages of publication: 15185 - 15188
• a: 8.5959 ± 0.0005 Å
• b: 18.7821 ± 0.0011 Å
• c: 27.0537 ± 0.0015 Å
• α: 108.997 ± 0.002°
• β: 95.076 ± 0.003°
• γ: 94.172 ± 0.002°
• Cell volume: 4089.7 ± 0.4 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2677
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No