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Information card for entry 7117521
Preview
Coordinates | 7117521.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C231 H87 Cl9 O12 P4 S4 |
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Calculated formula | C231 H87 Cl9 O12 P4 S4 |
SMILES | P12(=S)c3c4Oc5c2c(Oc2c1c(Oc3ccc4C#Cc1ccccc1)c(C#Cc1ccccc1)cc2)c(cc5)C#Cc1ccccc1.P12(=S)c3c4Oc5c1c(Oc1c2c(Oc3ccc4C#Cc2ccccc2)c(C#Cc2ccccc2)cc1)c(cc5)C#Cc1ccccc1.P12(=S)c3c4Oc5c1c(Oc1c2c(Oc3ccc4C#Cc2ccccc2)c(C#Cc2ccccc2)cc1)c(C#Cc1ccccc1)cc5.P12(=S)c3c4Oc5c2c(Oc2c1c(Oc3ccc4C#Cc1ccccc1)c(C#Cc1ccccc1)cc2)c(cc5)C#Cc1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.c12c3c4c5c6c7c8c9c%10c%11c%12c%13c(c(c26)c8%11)c1c1c2c3c3c6c8c%11c%14c%15c%16c%17c(c%12c%12c%16c%14c(c1c%13%12)c28)c%10c1c2c8c%10c%12c%13c%14c(c%11c6c%13c(c%12c5c7c%10c92)c43)c%15c(c%171)c8%14 |
Title of publication | Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene |
Authors of publication | Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 12080 |
a | 31.8128 ± 0.0015 Å |
b | 31.8128 ± 0.0015 Å |
c | 16.4343 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 16632.4 ± 1.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 76 |
Hermann-Mauguin space group symbol | P 41 |
Hall space group symbol | P 4w |
Residual factor for all reflections | 0.2095 |
Residual factor for significantly intense reflections | 0.122 |
Weighted residual factors for significantly intense reflections | 0.2623 |
Weighted residual factors for all reflections included in the refinement | 0.2979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7117521.html
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