Information card for entry 1560281

Structure parameters

• Formula: C21 H27 B F2 I N3 O5
• Calculated formula: C21 H27 B F2 I N3 O5
• Title of publication: Nitro-Substituted Dipyrrolyldiketone BF₂ Complexes as Electronic-State-Adjustable Anion-Responsive π-Electronic Systems.
• Authors of publication: Kuno, Atsuko; Maeda, Hiromitsu
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2021
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 595
• a: 8.6034 ± 0.0002 Å
• b: 9.0805 ± 0.0002 Å
• c: 16.4248 ± 0.0004 Å
• α: 99.579 ± 0.002°
• β: 94.035 ± 0.002°
• γ: 108.412 ± 0.002°
• Cell volume: 1190.09 ± 0.05 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No