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Information card for entry 7151049
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| Coordinates | 7151049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C21 H15 Cl2 N O5 |
|---|---|
| Calculated formula | C21 H15 Cl2 N O5 |
| SMILES | Clc1c(c2cc(=O)[nH]c3c(oc4c3c2ccc4OC)C(=O)OCC)c(Cl)ccc1 |
| Title of publication | Synthesis and biological activities of novel furo[2,3,4-jk][2]benzazepin-4(3H)-one derivatives. |
| Authors of publication | Ando, Kumiko; Akai, Yukiko; Kunitomo, Jun-Ichi; Yokomizo, Takehiko; Nakajima, Hidemitsu; Takeuchi, Tadayoshi; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2007 |
| Journal volume | 5 |
| Journal issue | 4 |
| Pages of publication | 655 - 663 |
| a | 8.6316 ± 0.0002 Å |
| b | 14.8772 ± 0.0003 Å |
| c | 14.4589 ± 0.0003 Å |
| α | 90° |
| β | 95.3308 ± 0.0011° |
| γ | 90° |
| Cell volume | 1848.7 ± 0.07 Å3 |
| Cell temperature | 93.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.1675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151049.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7151049.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151049.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151049.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7151049.cif |
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Users of the data should acknowledge the original authors of the
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