Information card for entry 7713213

Structure parameters

• Formula: C23 H26 N3 O4 P
• Calculated formula: C23 H26 N3 O4 P
• SMILES: P(=O)(OCC)(OCC)C(Nc1c2c(nccc2)c2ncccc2c1)c1ccccc1.O
• Title of publication: Surface Immobilized Cu-1,10-Phenanthroline Complexes with α-Aminophosphonate Groups in the 5-Position as Heterogenous Catalysts for Efficient Atom-Transfer Radical Cyclizations
• Authors of publication: Maier, Sarah E.; Bunjaku, Osman; Kaya, Elif; Dyballa, Michael; Frey, Wolfgang; Estes, Deven
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.2497 ± 0.001 Å
• b: 15.9458 ± 0.0014 Å
• c: 12.329 ± 0.0009 Å
• α: 90°
• β: 99.129 ± 0.003°
• γ: 90°
• Cell volume: 2183.6 ± 0.3 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 2 K
• Number of distinct elements: 5
• 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: 0.0889
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No