Information card for entry 7717054

Structure parameters

• Formula: C31 H29 Br3 Cu N4 O3
• Calculated formula: C31 H29 Br3 Cu N4 O3
• Title of publication: Optical Sensing of L-dihydroxy-phenylalanine in Water by a High-affinity Molecular Receptor Involving a Cooperative Bind of Metal Coordination Bond and Boronate-Diol
• Authors of publication: Salomón-Flores, María Karina; Viviano-Posadas, Alejandro O.; Valdes-García, Josue; López-Guerrero , Víctor; Martínez-Otero, Diego; Barroso-Flores, Joaquín; German-Acacio, Juan Manuel; Bazany-Rodríguez, Iván J.; Dorazco-González, Alejandro
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 17.1481 ± 0.0008 Å
• b: 14.9862 ± 0.0007 Å
• c: 12.3646 ± 0.0006 Å
• α: 90°
• β: 107.147 ± 0.0009°
• γ: 90°
• Cell volume: 3036.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No