Information card for entry 2006620

Structure parameters

• Formula: C48 H34 F6 N2 O7
• Calculated formula: C48 H34 F6 N2 O7
• SMILES: F[C@@]1([C@@](F)(C(F)(F)C1(F)F)c1c(Oc2ccccc2)ccc(N2C(=O)c3ccccc3C2=O)c1)c1c(Oc2ccccc2)ccc(N2C(=O)c3ccccc3C2=O)c1.O(CC)CC.F[C@]1([C@](F)(C(F)(F)C1(F)F)c1c(Oc2ccccc2)ccc(N2C(=O)c3ccccc3C2=O)c1)c1c(Oc2ccccc2)ccc(N2C(=O)c3ccccc3C2=O)c1.O(CC)CC
• Title of publication: A <i>trans</i>-1,2-Diarylhexafluorocyclobutane
• Authors of publication: Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1445 - 1447
• a: 13.891 ± 0.002 Å
• b: 15.426 ± 0.003 Å
• c: 11.014 ± 0.002 Å
• α: 102.81 ± 0.02°
• β: 104.94 ± 0.02°
• γ: 102.71 ± 0.02°
• Cell volume: 2125.2 ± 0.8 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for significantly intense reflections: 1.469
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No