Information card for entry 7150953

Structure parameters

• Formula: C19 H23 B F2 I2 N2 O2
• Calculated formula: C19 H23 B F2 I2 N2 O2
• SMILES: [B]1(F)(F)OC(=CC(c2c(c(c(I)[nH]2)CC)CC)=[O]1)c1c(c(c(I)[nH]1)CC)CC
• Title of publication: Selective iodinated dipyrrolyldiketone BF2 complexes as potential building units for oligomeric systems
• Authors of publication: Maeda, Hiromitsu; Haketa, Yohei
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 17
• Pages of publication: 3091 - 3095
• a: 16.022 ± 0.005 Å
• b: 16.416 ± 0.005 Å
• c: 32.819 ± 0.01 Å
• α: 90°
• β: 101.164 ± 0.005°
• γ: 90°
• Cell volume: 8469 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No