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Information card for entry 4131624
Preview
Coordinates | 4131624.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 6M-1 |
---|---|
Formula | C228 H216 N32 |
Calculated formula | C228 H216 N32 |
SMILES | N/1=C/c2ccc(C3=C4c5ccc(cc5)C=NCCN5CCN=Cc6ccc(C7=C8c9ccc(cc9)/C=N/CCN9CCN=Cc%10ccc(C(=C%11c%12ccc(cc%12)/C=N/CCN(CCN=Cc%12ccc4cc%12)CCN=Cc4ccc(C%12=C%13c%14ccc(cc%14)/C=N/CCN%14CC/N=C/c%15ccc(C(=C(c%16ccc(cc%16)C=NCCN(CCN=Cc%16ccc7cc%16)CC1)c1ccc(cc1)C=NCCN(CCN=Cc1ccc(C(=C(c7ccc(cc7)C=NCC9)c7ccc(cc7)C=NCCN(CCN=Cc7ccc%13cc7)CC/N=C/c7ccc%11cc7)c7ccc(cc7)/C=N/CC%14)cc1)CC/N=C/c1ccc8cc1)c1ccc(cc1)C=NCCN(CCN=Cc1ccc%12cc1)CC/N=C/c1ccc3cc1)cc%15)cc4)c1ccc(cc1)C=NCC5)cc%10)cc6)cc2 |
Title of publication | Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties. |
Authors of publication | Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 50 |
Pages of publication | 18142 - 18145 |
a | 28.1211 ± 0.0009 Å |
b | 28.1211 ± 0.0009 Å |
c | 30.4311 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 20840.7 ± 1.3 Å3 |
Cell temperature | 223.01 ± 0.1 K |
Ambient diffraction temperature | 223.01 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :H |
Hall space group symbol | R 3 |
Residual factor for all reflections | 0.0822 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1529 |
Weighted residual factors for all reflections included in the refinement | 0.1762 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4131624.html
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