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Information card for entry 1529292
Preview
Coordinates | 1529292.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C166 H100 Cl12 O12 P4 |
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Calculated formula | C166 H100 Cl12 O12 P4 |
SMILES | ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.P12(=O)c3c(Oc4c5Oc6c(P7(=O)c5c(Oc5c7cc(cc5)C(C)(C)C)c(Oc5ccc(cc25)C(C)(C)C)c14)cc(cc6)C(C)(C)C)ccc(c3)C(C)(C)C.P12(=O)c3c(Oc4c5Oc6c(P7(=O)c5c(Oc5c7cc(cc5)C(C)(C)C)c(Oc5ccc(cc25)C(C)(C)C)c14)cc(cc6)C(C)(C)C)ccc(c3)C(C)(C)C.c12c3c4c5c6c1c1c7c8c2c2c3c3c9c%10c2c2c%11c%12c%10c%10c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c(c%14c%16%20)c%10c9c9c%22c%10c(c5c5c(c%19c%14c%16c(c1c6c5%14)c1c7c5c(c82)c%11c2c(c%15c6c%17c(c1c5c26)c%18%16)c%12%13)c%21%10)c4c39 |
Title of publication | Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities |
Authors of publication | Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 11 |
Pages of publication | 6373 |
a | 34.079 ± 0.012 Å |
b | 13.764 ± 0.005 Å |
c | 27.024 ± 0.01 Å |
α | 90° |
β | 103.463 ± 0.004° |
γ | 90° |
Cell volume | 12328 ± 8 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.199 |
Residual factor for significantly intense reflections | 0.1447 |
Weighted residual factors for significantly intense reflections | 0.3479 |
Weighted residual factors for all reflections included in the refinement | 0.3803 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.416 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1529292.html
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