Information card for entry 7132393

Structure parameters

• Formula: C35 H40 Cu N5 O
• Calculated formula: C35 H40 Cu N5 O
• SMILES: [Cu]12([n]3c4C[N]2(Cc2[n]1c(ccc2)CN(Cc3ccc4)C(C)(C)C)C(C)(C)C)N1c2ccccc2C(=O)c2ccccc12
• Title of publication: Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu^I-arylamide mechanophores.
• Authors of publication: Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 60
• Journal issue: 2
• Pages of publication: 212 - 215
• a: 11.89392 ± 0.00007 Å
• b: 15.29071 ± 0.00008 Å
• c: 17.47129 ± 0.0001 Å
• α: 90°
• β: 100.826 ± 0.0006°
• γ: 90°
• Cell volume: 3120.9 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No