Information card for entry 7243447

Structure parameters

• Formula: C20 H13 F12 O2 P
• Calculated formula: C20 H13 F12 O2 P
• Title of publication: Trimerization and cyclization of reactive P-functionalities confined within OCO pincers
• Authors of publication: Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 46
• Pages of publication: 28602 - 28613
• a: 6.4519 ± 0.0004 Å
• b: 14.303 ± 0.0009 Å
• c: 11.4008 ± 0.0006 Å
• α: 90°
• β: 92.203 ± 0.004°
• γ: 90°
• Cell volume: 1051.31 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No