Information card for entry 7123186

Structure parameters

• Formula: C64 H64 N6
• Calculated formula: C64 H64 N6
• Title of publication: A Route to a Cyclobutane-Linked Double-Looped System via a Helical Macrocycle
• Authors of publication: Klajn, Jan; Stawski, Wojciech; Chmielewski, Piotr Jan; Cybińska, Joanna; Pawlicki, Miłosz
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 38.1618 ± 0.0013 Å
• b: 10.601 ± 0.0004 Å
• c: 12.8755 ± 0.0005 Å
• α: 90°
• β: 96.379 ± 0.003°
• γ: 90°
• Cell volume: 5176.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.2786
• Weighted residual factors for all reflections included in the refinement: 0.2924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No