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Information card for entry 2231507
Preview
| Coordinates | 2231507.cif |
|---|---|
| Structure factors | 2231507.hkl |
| Original IUCr paper | HTML |
| Common name | 11-Hydroxy-9-(prop-2-en-1-yl)-9,10-dihydro-9,10-propanoanthracen-12-one |
|---|---|
| Chemical name | 15-hydroxy-1-(prop-2-en-1-yl)tetracyclo[6.6.3.0^2,7^.0^9,14^]heptadeca- 2,4,6,9(14),10,12-hexaen-16-one |
| Formula | C20 H18 O2 |
| Calculated formula | C20 H18 O2 |
| SMILES | O=C1CC2c3ccccc3C(c3ccccc23)(C1O)CC=C |
| Title of publication | 11-Hydroxy-9-(prop-2-en-1-yl)-9,10-dihydro-9,10-propanoanthracen-12-one |
| Authors of publication | Karama, Usama; Almansour, Abdulrahman I.; Arumugam, Natarajan; Razak, Ibrahim Abdul; Arshad, Suhana |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | o2487 |
| a | 7.6094 ± 0.00001 Å |
| b | 9.1609 ± 0.00001 Å |
| c | 11.1735 ± 0.0002 Å |
| α | 84.202 ± 0.001° |
| β | 85.707 ± 0.001° |
| γ | 69.895 ± 0.001° |
| Cell volume | 727.017 ± 0.014 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0503 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181237 (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 2/23/15. |
2231507.cif 2231507.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. |
2231507.cif 2231507.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231507.cif 2231507.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231507.cif 2231507.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231507.cif 2231507.hkl |
| 27636 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231507 via cif-deposit CGI script. |
2231507.cif |
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Users of the data should acknowledge the original authors of the
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