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Information card for entry 2238317
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| Coordinates | 2238317.cif |
|---|---|
| Structure factors | 2238317.hkl |
| Original IUCr paper | HTML |
| Chemical name | 14-Methoxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca-2(7),13,15,17-tetraene-3,5,11-trione |
|---|---|
| Formula | C23 H20 N2 O6 |
| Calculated formula | C23 H20 N2 O6 |
| Title of publication | 14-Methoxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca-2(7),13,15,17-tetraene-3,5,11-trione |
| Authors of publication | Jagadeesan, G.; Jayashree, S.; Kannan, D.; Bakthadoss, M.; Aravindhan, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1199 - o1200 |
| a | 9.2283 ± 0.0007 Å |
| b | 14.0584 ± 0.001 Å |
| c | 16.4457 ± 0.0013 Å |
| α | 94.869 ± 0.002° |
| β | 102.547 ± 0.002° |
| γ | 105.27 ± 0.002° |
| Cell volume | 1986.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1299 |
| Weighted residual factors for all reflections included in the refinement | 0.141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238317.cif 2238317.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238317.cif 2238317.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2238317.cif 2238317.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238317.cif 2238317.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238317.cif 2238317.hkl |
| 88149 | 2013-09-04 | cif/ Adding structures of 2238317 via cif-deposit CGI script. |
2238317.cif |
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Users of the data should acknowledge the original authors of the
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