Information card for entry 7128466

Structure parameters

• Formula: C156 H102 O15 S6
• Calculated formula: C156 H102 O15 S6
• Title of publication: Transformation from triple helicene to double helicene embedding adjacent stereogenic carbon atoms and axial stereogenicity.
• Authors of publication: Yubuta, Ayaka; Tsurusaki, Akihiro; Kamikawa, Ken
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 54
• Pages of publication: 6600 - 6603
• a: 14.695 ± 0.003 Å
• b: 20.709 ± 0.004 Å
• c: 22.202 ± 0.004 Å
• α: 79.292 ± 0.004°
• β: 80.514 ± 0.004°
• γ: 89.184 ± 0.005°
• Cell volume: 6547 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No