Information card for entry 2005726

Structure parameters

• Common name: 9,10-bis(7-fluoro-2,5-dioxaheptyl)triptycene
• Formula: C30 H32 F2 O4
• Calculated formula: C30 H32 F2 O4
• SMILES: FCCOCCOCC12c3c(C(c4c1cccc4)(c1c2cccc1)COCCOCCF)cccc3
• Title of publication: 9,10-Bis(7-fluoro-2,5-dioxaheptyl)triptycene
• Authors of publication: Gakh, A. A.; Bryan, J. C.; Sachleben, R. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3093 - 3095
• a: 10.413 ± 0.002 Å
• b: 15.7825 ± 0.0013 Å
• c: 15.503 ± 0.002 Å
• α: 90°
• β: 99.513 ± 0.007°
• γ: 90°
• Cell volume: 2512.8 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• 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: 0.035
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No