Information card for entry 7226212

Structure parameters

• Chemical name: SS12B
• Formula: C21 H22 Cu N4 O7
• Calculated formula: C21 H22 Cu N4 O7
• SMILES: [Cu]12(OC(=O)[C@H]([NH2]1)Cc1ccccc1)([OH2])[n]1c3c(ccc1)ccc1c3[n]2ccc1.O=N(=O)[O-].O
• Title of publication: Synthesis, characterization, crystal structure of RNA targeted L- and D-phenylalanine-(1, 10-phen)-copper(II) conjugate complexes; Comparative in vitro RNA binding profile of enantiomers and their biological evaluation by morphological studies and antibacterial activity
• Authors of publication: Sharma, Surbhi; Toupet, Loïc; Ahmad, Musheer; Arjmand, Farukh
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.728 ± 0.005 Å
• b: 20.587 ± 0.005 Å
• c: 9.252 ± 0.005 Å
• α: 90°
• β: 98.308 ± 0.005°
• γ: 90°
• Cell volume: 1079.6 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No