Information card for entry 1508506

Structure parameters

• Formula: C47 H42 Cu N6 O7 S2
• Calculated formula: C47 H42 Cu N6 O7 S2
• SMILES: [Cu]123n4c5=C(c6[n]3c(=Cc3n2c(C(=c2[n]1c(C=c4cc5)cc2)c1cc[n+](cc1)C)cc3)cc6)c1cc[n+](cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.OC
• Title of publication: Cationic copper(II) porphyrins intercalate into domains of double-stranded RNA.
• Authors of publication: Briggs, Breeze N.; Gaier, Abby J.; Fanwick, Phillip E.; Dogutan, Dilek K.; McMillin, David R.
• Journal of publication: Biochemistry
• Year of publication: 2012
• Journal volume: 51
• Journal issue: 38
• Pages of publication: 7496 - 7505
• a: 27.7209 ± 0.0019 Å
• b: 8.846 ± 0.0002 Å
• c: 17.442 ± 0.0003 Å
• α: 90°
• β: 105.179 ± 0.007°
• γ: 90°
• Cell volume: 4127.9 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.091
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No