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Information card for entry 1502330
Preview
Coordinates | 1502330.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H22 O5 |
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Calculated formula | C31 H22 O5 |
SMILES | O=C1c2c(cccc2)C2=C3C=CC(=O)c4c3c([C@]32[C@@H](C1)CC(=O)c1c(OC)cccc31)ccc4OC.O=C1c2c(cccc2)C2=C3C=CC(=O)c4c3c([C@@]32[C@H](C1)CC(=O)c1c(OC)cccc31)ccc4OC |
Title of publication | A concise approach to the dalesconol skeleton. |
Authors of publication | Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 17 |
Pages of publication | 4494 - 4497 |
a | 20.496 ± 0.007 Å |
b | 18.931 ± 0.005 Å |
c | 15.444 ± 0.005 Å |
α | 90° |
β | 108.178 ± 0.006° |
γ | 90° |
Cell volume | 5693 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1152 |
Residual factor for significantly intense reflections | 0.0827 |
Weighted residual factors for significantly intense reflections | 0.2337 |
Weighted residual factors for all reflections included in the refinement | 0.2539 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/1502330.html
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Users of the data should acknowledge the original authors of the
structural data.