Information card for entry 4030584

Structure parameters

• Formula: C18 H20 F2 O2
• Calculated formula: C18 H20 F2 O2
• SMILES: O1[C@](O)([C@@H]2[C@H]3[C@H]4CC[C@@H]2C[C@H]4C(F)(F)[C@@]13C)c1ccccc1.O1[C@@](O)([C@H]2[C@@H]3[C@@H]4CC[C@H]2C[C@@H]4C(F)(F)[C@]13C)c1ccccc1
• Title of publication: Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.
• Authors of publication: Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 3
• Pages of publication: 1577 - 1592
• a: 17.043 ± 0.0006 Å
• b: 17.043 ± 0.0006 Å
• c: 11.1065 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3226 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No