Information card for entry 4032582

Structure parameters

• Formula: C24 H32 N2 O4
• Calculated formula: C24 H32 N2 O4
• SMILES: Oc1c(C(=N\[C@H](CO)C(C)C)\C(=N/[C@H](CO)C(C)C)c2c(O)cccc2)cccc1
• Title of publication: Stereoselective Chiral Recognition of Amino Alcohols with 2,2'-Dihydroxybenzil.
• Authors of publication: Seo, Min-Seob; Sun, Daeyoung; Kim, Hyunwoo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 10.3646 ± 0.0006 Å
• b: 18.3605 ± 0.001 Å
• c: 25.0181 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4760.9 ± 0.5 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 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: 0.0294
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No