Information card for entry 1505249

Structure parameters

• Formula: C25 H20 F2
• Calculated formula: C25 H20 F2
• SMILES: Fc1ccc(C(=CC2=C(C2(C)C)c2ccccc2)c2ccc(F)cc2)cc1
• Title of publication: Lewis acid catalyzed rearrangement of vinylcyclopropenes for the construction of naphthalene and indene skeletons.
• Authors of publication: Shao, Li-Xiong; Zhang, Yun-Peng; Qi, Ming-Hui; Shi, Min
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 117 - 120
• a: 12.5896 ± 0.0012 Å
• b: 9.1294 ± 0.0008 Å
• c: 17.6833 ± 0.0016 Å
• α: 90°
• β: 102.192 ± 0.002°
• γ: 90°
• Cell volume: 1986.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No