Information card for entry 7226377

Structure parameters

• Chemical name: 1?,3?,3? -Trimethyl-6-acryloylspiro(2H-1-benzopyran-2,2-indoline
• Formula: C22 H21 N O3
• Calculated formula: C22 H21 N O3
• SMILES: c1cccc2c1C(C)(C)C1(C=Cc3c(ccc(c3)OC(=O)C=C)O1)N2C
• Title of publication: Solvato-Morphologically Controlled, Reversible NIPAAm Hydrogel Photoactuators
• Authors of publication: Dunne, Aishling Catherine; Delaney, Colm; Florea, Larisa; Diamond, Dermot
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.52 ± 0.003 Å
• b: 21.866 ± 0.006 Å
• c: 7.63 ± 0.002 Å
• α: 90°
• β: 100.443 ± 0.009°
• γ: 90°
• Cell volume: 1890.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 297.78 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: 0.1055
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No