Information card for entry 1534136

Structure parameters

• Formula: C39 H35 N O
• Calculated formula: C39 H35 N O
• SMILES: O=C(/C=C(N(CC)CC)\c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccccc1
• Title of publication: Regio- and stereoselective construction of stimuli-responsive macromolecules by a sequential coupling-hydroamination polymerization route
• Authors of publication: Deng, Haiqin; He, Zikai; Lam, Jacky W. Y.; Tang, Ben Zhong
• Journal of publication: Polym. Chem.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 48
• Pages of publication: 8297
• a: 19.39657 ± 0.00015 Å
• b: 15.07422 ± 0.00012 Å
• c: 10.4257 ± 0.00008 Å
• α: 90°
• β: 98.9955 ± 0.0007°
• γ: 90°
• Cell volume: 3010.86 ± 0.04 ų
• Cell temperature: 99.9 ± 0.2 K
• Ambient diffraction temperature: 99.9 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No