Information card for entry 7131283

Structure parameters

• Formula: C140 N10 O10 Y3
• Calculated formula: C140 N10 O10 Y3
• SMILES: [Y]1234567([O]8[Y]9%10([O]1C(=[N]6c1ccccc1)Cc1ccccc1)(OC(=[N]%10c1ccccc1)Cc1ccccc1)([O]2C(=[N]9c1ccccc1)Cc1ccccc1)(O/C(=N\c1ccccc1)Cc1ccccc1)[N](c1ccccc1)=C8Cc1ccccc1)[O]([Y]126([O]3C(=[N]5c3ccccc3)Cc3ccccc3)([O]4C(=[N]1c1ccccc1)Cc1ccccc1)(OC(=[N]6c1ccccc1)Cc1ccccc1)OC(=[N]2c1ccccc1)Cc1ccccc1)C(=[N]7c1ccccc1)Cc1ccccc1
• Title of publication: Lanthanide-catalyzed deamidative cyclization of secondary amides and ynones through tandem C-H and C-N activation.
• Authors of publication: Zhang, Junxi; Wang, Yitu; Zhou, Xigeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 22
• Pages of publication: 3253 - 3256
• a: 14.227 ± 0.002 Å
• b: 18.221 ± 0.004 Å
• c: 26.44 ± 0.005 Å
• α: 98.237 ± 0.015°
• β: 92.972 ± 0.015°
• γ: 106.495 ± 0.013°
• Cell volume: 6473 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No