Information card for entry 8107563

Structure parameters

• Chemical name: 4-benzhydrylideneamino-12-(4- tert-butyl oxazolin-2-yl)[2.2]paracyclophane
• Formula: C36 H36 N2 O
• Calculated formula: C36 H36 N2 O
• SMILES: O1C(=N[C@H](C1)C(C)(C)C)c1c2CCc3cc(N=C(c4ccccc4)c4ccccc4)c(CCc(cc2)c1)cc3
• Title of publication: The crystal structure of (S, R p )-4–benzhydrylideneamino-12-(4-tert-butyl oxazolin-2-yl)[2.2]paracyclophane, C36H36N2O
• Authors of publication: Chen, Zhen; Sun, Yanwen; Chen, Chao; Xu, Nuo; Wang, Xiaozhong; Li, Sijun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 791 - 793
• a: 11.849 ± 0.002 Å
• b: 14.373 ± 0.003 Å
• c: 17.183 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2926.4 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No