Information card for entry 7109303

Structure parameters

• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: C1(=O)[C@H](c2ccccc2)[C@H](C(=O)N1)c1ccccc1.C1(=O)[C@@H](c2ccccc2)[C@@H](C(=O)N1)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: 13.1134 ± 0.0011 Å
• b: 13.6354 ± 0.0011 Å
• c: 7.2439 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1295.26 ± 0.19 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: 0.0452
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No