Information card for entry 7157716

Structure parameters

• Formula: C32 H26 B2 F9 N3 O2
• Calculated formula: C32 H26 B2 F9 N3 O2
• Title of publication: Synthesis and properties of chiral fluorescent helicene-BODIPY conjugates.
• Authors of publication: Moneva Lorente, Pau; Wallabregue, Antoine; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Lacour, Jérôme
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 38
• Pages of publication: 7677 - 7684
• a: 11.2245 ± 0.0005 Å
• b: 13.0227 ± 0.0005 Å
• c: 13.7251 ± 0.0005 Å
• α: 92.741 ± 0.003°
• β: 106.371 ± 0.003°
• γ: 107.992 ± 0.003°
• Cell volume: 1810.67 ± 0.14 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.0602
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No