Information card for entry 7107724

Structure parameters

• Formula: C32 H30 N2 O4
• Calculated formula: C32 H30 N2 O4
• SMILES: c1(cccc2ccccc12)[C@H](C)NC(=O)[C@]12N(Cc3ccccc3C1)C(=O)O[C@H]2c1ccccc1.O1CCOCC1
• Title of publication: Asymmetric aldol reaction via memory of chirality
• Authors of publication: Hidetoshi Watanabe; Tomoyuki Yoshimura; Shimpei Kawakami; Takahiro Sasamori; Norihiro Tokitoh; Takeo Kawabata
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5346
• a: 9.1521 ± 0.0003 Å
• b: 14.3285 ± 0.0004 Å
• c: 20.2138 ± 0.0006 Å
• α: 97.7195 ± 0.0013°
• β: 97.2737 ± 0.0019°
• γ: 89.468 ± 0.002°
• Cell volume: 2605.51 ± 0.14 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No