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Information card for entry 7110614
Preview
Coordinates | 7110614.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C116 H48 |
---|---|
Calculated formula | C116 H48 |
SMILES | c12c3c4c5c1c1c6c7c8c9c%10c6c6c1c1c2c2c%11c3c3c%12c4c4c%13c%12c%12c%14c%15c%16c%17c%18c%19c%20c%17c%17c%15c(c%11c3%14)c3c2c1c1c(c%20c(c%10c%19c9c2c(c%13c(c%12%16)c%182)c8c4c57)c61)c%173.Cc1ccccc1C.c1cccc2c1C1c3c(C2c2ccccc12)cccc3.Cc1ccccc1C.c1cccc2c1C1c3ccccc3C2c2ccccc12 |
Title of publication | Solid state organisation of C60 by inclusion crystallisation with triptycenes† |
Authors of publication | Marc Veen, E.; Feringa, Ben L.; Postma, Peter M.; Jonkman, Harry T.; Spek, Anthony L. |
Journal of publication | Chemical Communications |
Year of publication | 1999 |
Journal issue | 17 |
Pages of publication | 1709 |
a | 19.767 ± 0.002 Å |
b | 9.9958 ± 0.001 Å |
c | 17.661 ± 0.002 Å |
α | 90° |
β | 109.882 ± 0.01° |
γ | 90° |
Cell volume | 3281.6 ± 0.6 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2605 |
Residual factor for significantly intense reflections | 0.0947 |
Weighted residual factors for significantly intense reflections | 0.1882 |
Weighted residual factors for all reflections included in the refinement | 0.2611 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
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/7110614.html
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