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Information card for entry 1502935
Preview
Coordinates | 1502935.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H17 N |
---|---|
Calculated formula | C29 H17 N |
SMILES | c12c(c3c(cc1)nc1c(c4c(cc1)cc1c(cccc1)c4)c3)cc1c(c2)cccc1 |
Title of publication | Spiro Tröger's base derivatives: another structural phoenix? |
Authors of publication | Tatar, Ameneh; Cejka, Jan; Král, Vladimír; Dolenský, Bohumil |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 8 |
Pages of publication | 1872 - 1875 |
a | 11.9328 ± 0.0007 Å |
b | 6.1643 ± 0.0003 Å |
c | 25.0228 ± 0.0015 Å |
α | 90° |
β | 91.946 ± 0.005° |
γ | 90° |
Cell volume | 1839.55 ± 0.18 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
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 | 0.0577 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for all reflections | 0.1377 |
Weighted residual factors for significantly intense reflections | 0.1299 |
Weighted residual factors for all reflections included in the refinement | 0.1377 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/1502935.html
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Users of the data should acknowledge the original authors of the
structural data.