Information card for entry 7123182

Structure parameters

• Formula: C34 H33 N O2
• Calculated formula: C34 H33 N O2
• 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: 18.4682 ± 0.0013 Å
• b: 5.7331 ± 0.0002 Å
• c: 26.1392 ± 0.0018 Å
• α: 90°
• β: 108.033 ± 0.008°
• γ: 90°
• Cell volume: 2631.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1462
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No