Information card for entry 7158507

Structure parameters

• Chemical name: 2,6-dimesityl-1-methyl-4-phenyl-1,4-dihydropyridine
• Formula: C30 H33 N
• Calculated formula: C30 H33 N
• SMILES: N1(C(=CC(C=C1c1c(cc(cc1C)C)C)c1ccccc1)c1c(cc(cc1C)C)C)C
• Title of publication: A strong hydride donating, acid stable and reusable 1,4-dihydropyridine for selective aldimine and aldehyde reductions.
• Authors of publication: Hirao, Yasukazu; Eto, Hajime; Teraoka, Mitsuru; Kubo, Takashi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 8
• Pages of publication: 1671 - 1679
• a: 12.0239 ± 0.001 Å
• b: 14.1732 ± 0.0012 Å
• c: 17.0536 ± 0.0015 Å
• α: 107.498 ± 0.008°
• β: 103.65 ± 0.007°
• γ: 107.038 ± 0.008°
• Cell volume: 2477.1 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No