Information card for entry 7104497

Structure parameters

• Common name: Parquette 1677
• Formula: C24 H23 N5 O3
• Calculated formula: C24 H23 N5 O3
• SMILES: c1(cccc(C(=O)Nc2ccccc2)n1)C(=O)Nc1ccccc1NC(=O)[C@@H]1CCCN1
• Title of publication: Direct aldol reactions catalyzed by intramolecularly folded prolinamide dendrons: dendrimer effects on stereoselectivity.
• Authors of publication: Mitsui, Kazuhiko; Hyatt, Sarah A; Turner, Daniel A; Hadad, Christopher M; Parquette, Jon R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 22
• Pages of publication: 3261 - 3263
• a: 9.1013 ± 0.0001 Å
• b: 12.5045 ± 0.0002 Å
• c: 9.5586 ± 0.0002 Å
• α: 90°
• β: 98.496 ± 0.001°
• γ: 90°
• Cell volume: 1075.9 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No