Information card for entry 7155997

Structure parameters

• Common name: FRP-6
• Formula: C300 H324 N12
• Calculated formula: C300 H324 N12
• SMILES: CCCCC1(c2c3c4c1c1c5c6cc(C=N[C@H]([C@@H](N=Cc7cc8c(c9c%10C(c%11c%12c%10c%10C(c%13cc(C=N[C@H]([C@@H](N=Cc%14cc%15c(cc%14)c%14c(c%16c%17c(cc(cc%17)C=N[C@H]([C@@H](N=Cc(cc3)c2)c2ccccc2)c2ccccc2)C(CCCC)(CCCC)c%16c2c3c(cc(cc3)C=N[C@H]([C@@H](N=Cc3cc%16c(c%17c(C%16(CCCC)CCCC)c%16c%18c(cc(C=N[C@H]([C@H](c%19ccccc%19)N=Cc%19cc%20c(c(c1C6(CCCC)CCCC)c4C%20(CCCC)CCCC)cc%19)c1ccccc1)cc%18)C(c%16c1c4c(cc(C=N[C@@H](c6ccccc6)[C@H](c6ccccc6)N=Cc(c%11)cc%12)cc4)C(c%171)(CCCC)CCCC)(CCCC)CCCC)cc3)c1ccccc1)c1ccccc1)C(c%142)(CCCC)CCCC)C%15(CCCC)CCCC)c1ccccc1)c1ccccc1)ccc%13c%10c9C8(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)cc7)c1ccccc1)c1ccccc1)cc5)CCCC.CCCCC1(c2c3c4c1c1c5c6cc(C=N[C@@H]([C@H](N=Cc7cc8c(c9c%10C(c%11c%12c%10c%10C(c%13cc(C=N[C@@H]([C@H](N=Cc%14cc%15c(cc%14)c%14c(c%16c%17c(cc(cc%17)C=N[C@@H]([C@H](N=Cc(cc3)c2)c2ccccc2)c2ccccc2)C(CCCC)(CCCC)c%16c2c3c(cc(cc3)C=N[C@@H]([C@H](N=Cc3cc%16c(c%17c(C%16(CCCC)CCCC)c%16c%18c(cc(C=N[C@@H]([C@@H](c%19ccccc%19)N=Cc%19cc%20c(c(c1C6(CCCC)CCCC)c4C%20(CCCC)CCCC)cc%19)c1ccccc1)cc%18)C(c%16c1c4c(cc(C=N[C@H](c6ccccc6)[C@@H](c6ccccc6)N=Cc(c%11)cc%12)cc4)C(c%171)(CCCC)CCCC)(CCCC)CCCC)cc3)c1ccccc1)c1ccccc1)C(c%142)(CCCC)CCCC)C%15(CCCC)CCCC)c1ccccc1)c1ccccc1)ccc%13c%10c9C8(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)cc7)c1ccccc1)c1ccccc1)cc5)CCCC
• Title of publication: Narcissistic chiral self-sorting of molecular face-rotating polyhedra.
• Authors of publication: Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 34 - 37
• a: 24.68 ± 0.0009 Å
• b: 24.68 ± 0.0009 Å
• c: 101.978 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 53793 ± 4 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1743
• Residual factor for significantly intense reflections: 0.126
• Weighted residual factors for significantly intense reflections: 0.3615
• Weighted residual factors for all reflections included in the refinement: 0.4099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No