Information card for entry 7124905

Structure parameters

• Formula: C62 H44 B2 Cl6 N4 O6
• Calculated formula: C62 H44 B2 Cl6 N4 O6
• Title of publication: Synthesis of figure-of-eight helical bisBODIPY macrocycles and their chiroptical properties.
• Authors of publication: Saikawa, Makoto; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 71
• Pages of publication: 10727 - 10730
• a: 27.3653 ± 0.0013 Å
• b: 13.783 ± 0.0007 Å
• c: 31.7984 ± 0.0014 Å
• α: 90°
• β: 114.516 ± 0.003°
• γ: 90°
• Cell volume: 10912.3 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.522
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No