Information card for entry 1519498

Structure parameters

• Formula: C41 H37 N O
• Calculated formula: C41 H37 N O
• SMILES: O=C(/C=C(NC1CCCCC1)/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccccc1
• Title of publication: Construction of regio- and stereoregular poly(enaminone)s by multicomponent tandem polymerizations of diynes, diaroyl chloride and primary amines
• Authors of publication: Deng, Haiqin; Hu, Rongrong; Leung, Anakin C. S.; Zhao, Engui; Lam, Jacky W. Y.; Tang, Ben Zhong
• Journal of publication: Polym. Chem.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 4436
• a: 9.8924 ± 0.0006 Å
• b: 10.291 ± 0.0007 Å
• c: 15.6015 ± 0.0006 Å
• α: 91.437 ± 0.004°
• β: 94.959 ± 0.004°
• γ: 101.331 ± 0.005°
• Cell volume: 1550.05 ± 0.16 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 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: 0.0546
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No