Information card for entry 7124902

Structure parameters

• Formula: C61.5 H46.5 B Cl4.5 N4 O6
• Calculated formula: C61.5 H46.5 B Cl4.5 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: 13.411 ± 0.003 Å
• b: 20.416 ± 0.005 Å
• c: 21.32 ± 0.005 Å
• α: 75.181 ± 0.003°
• β: 83.052 ± 0.004°
• γ: 88.03 ± 0.003°
• Cell volume: 5602 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No