Information card for entry 7109306

Structure parameters

• Formula: C22 H17 N O2
• Calculated formula: C22 H17 N O2
• SMILES: c1(ccccc1)N1C(=O)[C@H](c2ccccc2)[C@H](C1=O)c1ccccc1.c1(ccccc1)N1C(=O)[C@@H](c2ccccc2)[C@@H](C1=O)c1ccccc1
• Title of publication: Asymmetric transformation by dynamic crystallization of achiral succinimides
• Authors of publication: Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4776
• a: 17.1516 ± 0.0003 Å
• b: 11.589 ± 0.0002 Å
• c: 8.4053 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1670.72 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No