Information card for entry 7155998

Structure parameters

• Common name: FRP-7
• Formula: C252 H324 N12
• Calculated formula: C252 H324 N12
• SMILES: c1c2C=N[C@H]3[C@H](N=Cc4ccc5c(c4)C(c4c5c5C(c6cc7C=N[C@H]8[C@H](N=Cc9ccc%10c(c9)C(c9c%10c%10C(c%11cc%12C=N[C@H]%13[C@H](N=Cc%14ccc%15c(c%14)C(c%14c%15c%15C(c1c(cc2)c%15c1c%14c2c(cc(C=N[C@H]%14[C@H](N=Cc%15cc%16c(c%17c(C%16(CCCC)CCCC)c%16c(c%18c%17C(c%17cc(C=N[C@H]%19[C@@H](CCCC%19)N=Cc%19cc%20C(c(c5c6cc7)c4c%20cc%19)(CCCC)CCCC)ccc%18%17)(CCCC)CCCC)C(c4cc(C=N[C@H]5[C@@H](CCCC5)N=Cc5cc6C(c(c%10c%11cc%12)c9c6cc5)(CCCC)CCCC)ccc%164)(CCCC)CCCC)cc%15)CCCC%14)cc2)C1(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)CCCC%13)(CCCC)CCCC)(CCCC)CCCC)CCCC8)(CCCC)CCCC)(CCCC)CCCC)CCCC3.c1c2C=N[C@@H]3[C@@H](N=Cc4ccc5c(c4)C(c4c5c5C(c6cc7C=N[C@@H]8[C@@H](N=Cc9ccc%10c(c9)C(c9c%10c%10C(c%11cc%12C=N[C@@H]%13[C@@H](N=Cc%14ccc%15c(c%14)C(c%14c%15c%15C(c1c(cc2)c%15c1c%14c2c(cc(C=N[C@@H]%14[C@@H](N=Cc%15cc%16c(c%17c(C%16(CCCC)CCCC)c%16c(c%18c%17C(c%17cc(C=N[C@@H]%19[C@H](CCCC%19)N=Cc%19cc%20C(c(c5c6cc7)c4c%20cc%19)(CCCC)CCCC)ccc%18%17)(CCCC)CCCC)C(c4cc(C=N[C@@H]5[C@H](CCCC5)N=Cc5cc6C(c(c%10c%11cc%12)c9c6cc5)(CCCC)CCCC)ccc%164)(CCCC)CCCC)cc%15)CCCC%14)cc2)C1(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)CCCC%13)(CCCC)CCCC)(CCCC)CCCC)CCCC8)(CCCC)CCCC)(CCCC)CCCC)CCCC3
• 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: 27.8827 ± 0.0006 Å
• b: 27.8827 ± 0.0006 Å
• c: 25.2681 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17012.7 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2951
• Weighted residual factors for all reflections included in the refinement: 0.3293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No