Information card for entry 7123181

Structure parameters

• Formula: C66 H70 Cl4 N6
• Calculated formula: C66 H69.572 Cl4 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: 10.9413 ± 0.0002 Å
• b: 16.5587 ± 0.0003 Å
• c: 31.2883 ± 0.0008 Å
• α: 90°
• β: 98.645 ± 0.002°
• γ: 90°
• Cell volume: 5604.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No