Information card for entry 7153176

Structure parameters

• Formula: C23 H22 N2 O3
• Calculated formula: C23 H22 N2 O3
• SMILES: O=C1N(N[C@H](C1)c1ccccc1)C(=O)[C@H](c1cc2ccc(OC)cc2cc1)C
• Title of publication: The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.
• Authors of publication: Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 45
• Pages of publication: 7877 - 7892
• a: 12.21 ± 0.008 Å
• b: 6.164 ± 0.003 Å
• c: 12.946 ± 0.007 Å
• α: 90°
• β: 99.737 ± 0.012°
• γ: 90°
• Cell volume: 960.3 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No