Information card for entry 1509132

Structure parameters

• Formula: C18 H33 F6 O P
• Calculated formula: C18 H33 F6 O P
• SMILES: [O+]12C3(CCC1(CCC2(CC3)CCC)CCC)CCC.P(F)(F)(F)(F)(F)[F-]
• Title of publication: Extreme oxatriquinanes and a record C-O bond length.
• Authors of publication: Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 12
• Pages of publication: 1018 - 1023
• a: 8.8102 ± 0.001 Å
• b: 15.9354 ± 0.0017 Å
• c: 14.1905 ± 0.0015 Å
• α: 90°
• β: 92.221 ± 0.002°
• γ: 90°
• Cell volume: 1990.8 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No