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Information card for entry 2240922
Preview
| Coordinates | 2240922.cif |
|---|---|
| Structure factors | 2240922.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2,3-Dimethoxy-5,6,7,8,13,13a-hexahydro-6a,8-diazaindeno[2,1-<i>b</i>]phenanthrene methanol monosolvate |
|---|---|
| Formula | C22 H26 N2 O3 |
| Calculated formula | C22 H26 N2 O3 |
| SMILES | O(c1c(OC)cc2CCN3Cc4[nH]c5c(c4CC3c2c1)cccc5)C.OC |
| Title of publication | Crystal structure of 2,3-dimethoxy-5,6,7,8,13,13a-hexahydro-6a,8-diazaindeno[2,1-<i>b</i>]phenanthrene methanol monosolvate |
| Authors of publication | Adizov, Shahobiddin M.; Saidov, Abdusalom Sh.; Turgunov, Kambarali K.; Okmanov, Rasul Ya.; Tashkhodjaev, Bakhodir |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | o574 - o575 |
| a | 7.608 ± 0.0003 Å |
| b | 11.8061 ± 0.0005 Å |
| c | 12.3327 ± 0.0005 Å |
| α | 65.242 ± 0.004° |
| β | 73.956 ± 0.004° |
| γ | 75.724 ± 0.004° |
| Cell volume | 955.81 ± 0.08 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 | 0.0576 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240922.cif 2240922.hkl |
| 181909 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240922.cif 2240922.hkl |
| 152111 | 2015-07-16 | cif/ hkl/ Adding structures of 2240922 via cif-deposit CGI script. |
2240922.cif 2240922.hkl |
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