Information card for entry 7124904

Structure parameters

• Formula: C60 H42 B2 N4 O6
• Calculated formula: C60 H42 B2 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: 11.4322 ± 0.0004 Å
• b: 16.3704 ± 0.0005 Å
• c: 12.5755 ± 0.0004 Å
• α: 90°
• β: 100.994 ± 0.002°
• γ: 90°
• Cell volume: 2310.31 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No