Information card for entry 7152191

Structure parameters

• Formula: C17 H23 N O2
• Calculated formula: C17 H23 N O2
• SMILES: O[C@H]1[C@@]2(CC[C@H]([C@H]1/[NH+]=C/c1ccccc1[O-])C2(C)C)C
• Title of publication: Camphor-based Schiff base ligand SBAIB: an enantioselective catalyst for addition of phenylacetylene to aldehydes.
• Authors of publication: Boobalan, Ramalingam; Chen, Chinpiao; Lee, Gene-Hsian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 1625 - 1638
• a: 11.5434 ± 0.0008 Å
• b: 11.2906 ± 0.0008 Å
• c: 12.3029 ± 0.0009 Å
• α: 90°
• β: 107.608 ± 0.002°
• γ: 90°
• Cell volume: 1528.34 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No