Information card for entry 7123179

Structure parameters

• Formula: C32 H31 N3
• Calculated formula: C32 H31 N3
• 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: 16.079 ± 0.002 Å
• b: 13.5974 ± 0.0016 Å
• c: 11.5541 ± 0.001 Å
• α: 90°
• β: 90.546 ± 0.011°
• γ: 90°
• Cell volume: 2526 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1422
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2415
• Weighted residual factors for all reflections included in the refinement: 0.2844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No