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Information card for entry 1506208
Preview
| Coordinates | 1506208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | amino-pyrrolo[2,3-b]quinoxaline |
|---|---|
| Chemical name | 1H-3a,8,13,13b-tetraazabenzo[b]cyclohepta[1,2,3-jk]fluorene |
| Formula | C17 H18 N4 |
| Calculated formula | C17 H18 N4 |
| SMILES | n1c2c(nc3c4c5n(c13)CCCN5CCCC4)cccc2 |
| Title of publication | From bifunctional nucleophilic behavior of DBU to a new heterocyclic fluorescent platform. |
| Authors of publication | Gryko, Daniel T.; Piechowska, Joanna; Tasior, Mariusz; Waluk, Jacek; Orzanowska, Grazyna |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 21 |
| Pages of publication | 4747 - 4750 |
| a | 7.4562 ± 0.0012 Å |
| b | 16.273 ± 0.003 Å |
| c | 11.316 ± 0.002 Å |
| α | 90° |
| β | 95.83 ± 0.1° |
| γ | 90° |
| Cell volume | 1365.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1374 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.169 |
| Weighted residual factors for all reflections included in the refinement | 0.1954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506208.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506208.cif |
| 171452 | 2015-12-11 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 1. |
1506208.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506208.cif |
| 48091 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506208 via cif-deposit CGI script. |
1506208.cif |
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