Information card for entry 1558613

Structure parameters

• Formula: C11 H11 N O4
• Calculated formula: C11 H11 N O4
• SMILES: O=C1N(CC(=O)O)C(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1
• Title of publication: Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers
• Authors of publication: Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 32
• Pages of publication: 5279 - 5285
• a: 6.29482 ± 0.00014 Å
• b: 13.8975 ± 0.0003 Å
• c: 11.1692 ± 0.0002 Å
• α: 90°
• β: 90.663 ± 0.002°
• γ: 90°
• Cell volume: 977.04 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No