Information card for entry 4034906

Structure parameters

• Formula: C36 H20 F12 N4 O3
• Calculated formula: C36 H20 F12 N4 O3
• SMILES: c1cccc2c1N(c1c(cc3c(c1)n(c1c(ccc(c1)=O)n3)c1ccccc1)N2)c1ccccc1.C(C(F)(F)F)(C(F)(F)F)O.C(C(F)(F)F)(C(F)(F)F)O
• Title of publication: Synthesis and Characterization of Isodiphenylfluorindone and Isodiphenylfluorindinone.
• Authors of publication: Zissimou, Georgia A.; Kourtellaris, Andreas; Koutentis, Panayiotis A.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 8
• Pages of publication: 4754 - 4761
• a: 9.637 ± 0.003 Å
• b: 13.663 ± 0.006 Å
• c: 14.998 ± 0.007 Å
• α: 116.82 ± 0.05°
• β: 91.45 ± 0.03°
• γ: 106.44 ± 0.03°
• Cell volume: 1663.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.2394
• Residual factor for significantly intense reflections: 0.1736
• Weighted residual factors for significantly intense reflections: 0.4053
• Weighted residual factors for all reflections included in the refinement: 0.4953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No