Information card for entry 4101502

Structure parameters

• Formula: C522 H722 N60 O20 Zn10
• Calculated formula: C522 H110 N60 O20 Zn10
• SMILES: [Zn]1234N5C6=C7N8C(=O)c9c(C8=O)c[n](cc9)[Zn]89%10N%11C%12=C%13N%14C(=O)c%15c(C%14=O)c[n](cc%15)[Zn]%14%15%16N%17C%18=C%19N%20C(=O)c%21c(C%20=O)c[n](cc%21)[Zn]%20%21%22N%23C%24=C%25N%26C(=O)c%27c(C%26=O)c[n](cc%27)[Zn]%26%27%28N%29C%30=C(N%31C(=O)c%32c(C%31=O)c[n]4cc%32)C4=[N]%28C(=C(C%28N%27C(C(=C%27[N]%26=C(C(=C%29C=C%30)c%26cc(ccc%26)CC)C=C%27)c%26cc(cc(c%26)C(C)(C)C)C(C)(C)C)=CC=%28)C%26=C%27N%28[Zn]%29%30%31[n]%32cc%33C(=O)N(C%34=C%35N%36[Zn]%37%38([N]%39=C%34C=CC%39=C(C%34N%37C(=CC=%34)C(C%34[N]%38=C(C=C%34)C(=C%36C=C%35)C(=C%34[N]3=C7C=C%34)C3N2C(C(=C2[N]1=C(C(=C5C=C6)c1cc(cc(c1)C(C)C)C(C)(C)C)C=C2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=CC=3)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cccc(c1)C(C)(C)C)[n]1cc2C(=O)N(C3=C5N6[Zn]7%34([N]%35=C3C=CC%35=C(C3N7C(=CC=3)C(=C3[N]%34=C(C=C3)C(=C6C=C5)C(=C3[N]%10=C%13C=C3)C3N9C(C(=C5[N]8=C(C(=C%11C=C%12)c6cc(cc(c6)C(C)(C)C)C(C)(C)C)C=C5)c5cc(cc(c5)C(C)(C)C)C(C)(C)C)=CC=3)c3cc(ccc3)C(C)(C)C)c3cccc(c3)CC)[n]3cc5C(=O)N(C6=C7N8[Zn]9%10([N]%11=C6C=CC%11=C(C6N9C(=CC=6)C(=C6[N]%10=C(C=C6)C(=C8C=C7)C(=C6[N]%16=C%19C=C6)C6N%15C(C(=C7[N]%14=C(C(=C%17C=C%18)c8cc(cc(c8)C(C)(C)C)C(C)(C)C)C=C7)c7cc(cc(c7)C(C)(C)C)C(C)(C)C)=CC=6)c6cc(cc(c6)C(C)C)C(C)(C)C)c6cc(cc(c6)C(C)(C)C)C(C)(C)C)[n]6cc7C(=O)N(C8=C9N%10[Zn]%11%12([N]%13=C8C=CC%13=C(C8N%11C(=CC=8)C(=C8[N]%12=C(C=C8)C(=C%10C=C9)C(=C8[N]%22=C%25C=C8)C8N%21C(C(=C9[N]%20=C(C(=C%23C=C%24)c%10cc(cc(c%10)C(C)(C)C)C(C)(C)C)C=C9)c9cc(cc(c9)C(C)(C)C)C(C)(C)C)=CC=8)c8cc(cc(c8)C(C)(C)C)C(C)(C)C)c8cc(cc(c8)C(C)(C)C)CC)[n]8cc9C(=O)N(C(=C%28C=C%27)C%10=[N]%29C(=C(C%11N%30C(=CC=%11)C(=C%11[N]%31=C%26C=C%11)c%11cc(cc(c%11)C(C)(C)C)C(C)(C)C)c%11cc(cc(c%11)CC)CC)C=C%10)C(=O)c9cc8)C(=O)c7cc6)C(=O)c5cc3)C(=O)c2cc1)C(=O)c%33cc%32)C=C4
• Title of publication: High fidelity self-sorting assembling of meso-cinchomeronimide appended meso-meso linked Zn(II) diporphyrins.
• Authors of publication: Kamada, Taisuke; Aratani, Naoki; Ikeda, Toshiaki; Shibata, Naoki; Higuchi, Yoshiki; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Kim, Kil Suk; Yoon, Zin Seok; Kim, Dongho; Osuka, Atsuhiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 23
• Pages of publication: 7670 - 7678
• a: 29.95 ± 0.03 Å
• b: 54.46 ± 0.05 Å
• c: 30.26 ± 0.03 Å
• α: 90°
• β: 111.06 ± 0.05°
• γ: 90°
• Cell volume: 46062 ± 79 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.1147
• Weighted residual factors for significantly intense reflections: 0.3123
• Weighted residual factors for all reflections included in the refinement: 0.3186
• Goodness-of-fit parameter for all reflections included in the refinement: 2.415
• Diffraction radiation wavelength: 0.6 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No