Information card for entry 7120795

Structure parameters

• Formula: C66 H70 N4 O12 Zn
• Calculated formula: C66 H70 N4 O12 Zn
• SMILES: [Zn]12(n3c4c5ccc(OCCOCCOCC=CCOCCOCCOc6ccc(c7[n]1c(cc7)=Cc3cc4)cc6)cc5)n1c3c4ccc(OCCOCCOCC=CCOCCOCCOc5ccc(c6[n]2c(cc6)=Cc1cc3)cc5)cc4
• Title of publication: Synthesis of a Bodipy [2]Catenane using the Chemistry of Bis(dipyrrinato)metal Complexes
• Authors of publication: Nişanci, Bilal; Sahinoglu, Sinem; Tuner, Esra; Arık, Mustafa; Kani, İbrahim; DASTAN, ARIF; Bozdemir, Özgür Altan
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 18.408 ± 0.01 Å
• b: 18.785 ± 0.011 Å
• c: 19.624 ± 0.008 Å
• α: 100.94 ± 0.05°
• β: 107.83 ± 0.05°
• γ: 106.54 ± 0.04°
• Cell volume: 5901 ± 6 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3462
• Residual factor for significantly intense reflections: 0.184
• Weighted residual factors for significantly intense reflections: 0.3056
• Weighted residual factors for all reflections included in the refinement: 0.3937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No