Information card for entry 7124901

Structure parameters

• Formula: C41 H30 B Cl3 N4 O2
• Calculated formula: C41 H30 B Cl3 N4 O2
• 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: 9.821 ± 0.003 Å
• b: 12.383 ± 0.003 Å
• c: 15.111 ± 0.004 Å
• α: 79.156 ± 0.003°
• β: 84.922 ± 0.004°
• γ: 73.193 ± 0.003°
• Cell volume: 1726.7 ± 0.8 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: 0.0737
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No