Information card for entry 1567620

Structure parameters

• Formula: C59 H55 Cl6 I2 N5 Rh2
• Calculated formula: C59 H55 Cl6 I2 N5 Rh2
• SMILES: C12N(c3c(N1C)c1c(c4c3cccc4)cccc1)c1c(cc3c(n1)N1C(N(c4c1c1ccccc1c1ccccc41)C)=[Rh]14563(I)[c]3([c]1([c]4([c]5([c]63C)C)C)C)C)[Rh]1345=2(I)[c]2([c]1([c]3([c]4([c]52C)C)C)C)C.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs
• Authors of publication: Karak, Pirudhan; Choudhury, Joyanta
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 37
• Pages of publication: 11163 - 11173
• a: 15.6999 ± 0.0009 Å
• b: 18.4945 ± 0.001 Å
• c: 20.4988 ± 0.0011 Å
• α: 90°
• β: 91.779 ± 0.003°
• γ: 90°
• Cell volume: 5949.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No