Information card for entry 1573924

Structure parameters

• Formula: C270 H210 N30 O18 Zn3
• Calculated formula: C270 H210 N30 O18 Zn3
• SMILES: c12[n]3[Zn]456n7c8=C9c%10[n]4c(=C4c%11n6c(C(=c3cc2)c2ccc(CN(C(=O)c3ccccc3)CCOCCN(C(=O)c3ccccc3)Cc3ccc(C6=c%12[n]%13c(C(=c%14n%15c(=C%16c%17[n]%18c(=C%19c%20n([Zn]%13%15%18[n]%13ccc(c%15nc(c%18cc[n]5cc%18)nc(c5cc[n](cc5)[Zn]5%18%21[n]%22c%23C(=c%24n5c(=C(c5[n]%18c(=C(c%18n%21c(C(=c%22cc%23)c%21ccc(CN(C(=O)c%22ccccc%22)CCOCCN(C(=O)c%22ccccc%22)Cc%22ccc4cc%22)cc%21)cc%18)c4ccc(cc4)CN(CCOCCN(Cc4ccc%19cc4)C(=O)c4ccccc4)C(=O)c4ccccc4)cc5)c4ccc(cc4)CN(CCOCCN(Cc4ccc%16cc4)C(=O)c4ccccc4)C(=O)c4ccccc4)cc%24)c4ccc(CN(C(=O)c5ccccc5)CCOCCN(C(=O)c5ccccc5)Cc5ccc9cc5)cc4)n%15)cc%13)c6cc%20)cc%17)cc%14)c4ccc(cc4)CN(CCOCCN(Cc4ccc(C1=c7cc8)cc4)C(=O)c1ccccc1)C(=O)c1ccccc1)cc%12)cc3)cc2)cc%11)cc%10
• Title of publication: Template-directed self-assembly of porphyrin nanorings through an imine condensation reaction.
• Authors of publication: Xu, Ziwei; Ying, Xinwen; Li, Yi; Dong, Xiaoyan; Liu, Jiyong; Wang, Shuping; Little, Marc A.; Zhang, Dahao; Xie, Yongshu; Zhang, Zibin; Yu, Ling; Huang, Feihe; Li, Shijun
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 5166 - 5173
• a: 26.4305 ± 0.0013 Å
• b: 26.4305 ± 0.0013 Å
• c: 28.419 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17192.9 ± 1.7 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.2082
• Residual factor for significantly intense reflections: 0.1363
• Weighted residual factors for significantly intense reflections: 0.3491
• Weighted residual factors for all reflections included in the refinement: 0.4048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No