Information card for entry 7122038

Structure parameters

• Formula: C30 H42 Cl Cu N6
• Calculated formula: C30 H42 Cl Cu N6
• Title of publication: A new water soluble copper N-heterocyclic carbene complex delivers mild O⁶G-selective RNA alkylation.
• Authors of publication: Rasale, Dnyaneshwar; Patil, Kiran; Sauter, Basilius; Geigle, Stefanie; Zhanybekova, Saule; Gillingham, Dennis
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 66
• Pages of publication: 9174 - 9177
• a: 16.6483 ± 0.0005 Å
• b: 10.5534 ± 0.0004 Å
• c: 18.3838 ± 0.0006 Å
• α: 90°
• β: 97.541 ± 0.002°
• γ: 90°
• Cell volume: 3202.03 ± 0.19 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1541
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections: 0.189
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9887
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No