Information card for entry 1548371

Structure parameters

• Common name: (AAAA)-2
• Formula: C252 H324 N12
• Calculated formula: C252 H324 N12
• SMILES: N/1=C/c2cc3c(c4c5c6c7C(c8cc(/C=N/[C@H]9[C@H](/N=C/c%10cc%11c(c%12c%13c%14c%15C(c%16cc(/C=N/[C@H]%17[C@H](/N=C/c%18cc%19c(c%20c%21c(c%22ccc(cc%22C%21(CCCC)CCCC)/C=N/[C@H]%21[C@H](/N=C/c%22ccc%23c(c%22)C(c%22c%23c%23c(c%24c(cc(/C=N/[C@H]%25[C@H](/N=C/c%26cc(C%13(CCCC)CCCC)c%14cc%26)CCCC%25)cc%24)C%23(CCCC)CCCC)c%13c%22c%14c(cc(/C=N/[C@H]%22[C@H](/N=C/c%23cc(C5(CCCC)CCCC)c6cc%23)CCCC%22)cc%14)C%13(CCCC)CCCC)(CCCC)CCCC)CCCC%21)c5C(CCCC)(CCCC)c6cc(/C=N/[C@H]%13[C@H]1CCCC%13)ccc6c5c%20C%19(CCCC)CCCC)cc%18)CCCC%17)ccc%16c%15c%12C%11(CCCC)CCCC)(CCCC)CCCC)cc%10)CCCC9)ccc8c7c4C3(CCCC)CCCC)(CCCC)CCCC)cc2
• Title of publication: Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions
• Authors of publication: Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 12469
• a: 23.3017 ± 0.0003 Å
• b: 23.3017 ± 0.0003 Å
• c: 51.4329 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24185 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 3
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No