Information card for entry 1558615

Structure parameters

• Formula: C39 H42 N4 O4
• Calculated formula: C39 H42 N4 O4
• 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: 15.72214 ± 0.00017 Å
• b: 19.9433 ± 0.0002 Å
• c: 20.9335 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6563.73 ± 0.13 ų
• Cell temperature: 150 ± 0.3 K
• Ambient diffraction temperature: 150 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No