Information card for entry 7218944

Structure parameters

• Formula: C90 H94 Cu2 N10 O28
• Calculated formula: C90 H94 Cu2 N10 O28
• SMILES: c12cccc(C(=O)N[C@@H](C(=O)N[C@@H](C3=[O][Cu]456[O]=[C]7[C@H](Cc8ccccc8)NC(=O)[C@@H](Cc8ccccc8)NC(=O)c8cccc(C(=O)N[C@H](C(=O)N[C@H](C(=[O][Cu]6(O7)([O]=C([C@H](Cc6ccccc6)NC(=O)[C@H](Cc6ccccc6)NC1=O)O5)O3)O4)Cc1ccccc1)Cc1ccccc1)n8)Cc1ccccc1)Cc1ccccc1)n2.CO.CO.CO.CO.O.O.O.O.O.O.O.O
• Title of publication: Ultrastructure of metallopeptide-based soft spherical morphologies
• Authors of publication: Kaur, Gagandeep; Abramovich, Lihi A.; Gazit, Ehud; Verma, Sandeep
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 110
• Pages of publication: 64457
• a: 12.0316 ± 0.0008 Å
• b: 13.971 ± 0.001 Å
• c: 15.7586 ± 0.0011 Å
• α: 73.219 ± 0.001°
• β: 80.012 ± 0.004°
• γ: 74.696 ± 0.002°
• Cell volume: 2432.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No