Information card for entry 7201767

Structure parameters

• Formula: C44 H20 F24 I4 N8 O8
• Calculated formula: C44 H20 F24 I4 N8 O8
• SMILES: Ic1ccc(N/N=C(/C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1
• Title of publication: Crystalline packings of diketoarylhydrazones controlled by a methyl for trifluoromethyl structural change
• Authors of publication: Marten, J.; Seichter, W.; Weber, E.; Böhme, U.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 541
• a: 19.9387 ± 0.0006 Å
• b: 19.9387 ± 0.0006 Å
• c: 6.7572 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2686.34 ± 0.17 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No