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Information card for entry 7150797
Preview
| Coordinates | 7150797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C25 H28 N2 O6 |
|---|---|
| Calculated formula | C25 H28 N2 O6 |
| SMILES | o1c(c(N)c2c(ccc(OC)c12)C(=C\C(=O)NCCc1cc(OC)c(OC)cc1)\C)C(=O)C |
| Title of publication | Preparation of 2-, 3-, 4- and 7-(2-alkylcarbamoyl-1-alkylvinyl)benzo[b]furans and their BLT1 and/or BLT2 inhibitory activities |
| Authors of publication | Ando, Kumiko; Kawamura, Yoko; Akai, Yukiko; Kunitomo, Jun-ichi; Yokomizo, Takehiko; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 2 |
| Pages of publication | 296 - 307 |
| a | 33.4101 ± 0.0008 Å |
| b | 5.07911 ± 0.00013 Å |
| c | 27.9188 ± 0.0007 Å |
| α | 90° |
| β | 101.832 ± 0.0014° |
| γ | 90° |
| Cell volume | 4637 ± 0.2 Å3 |
| Cell temperature | 296.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for all reflections included in the refinement | 0.17 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| 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. |
7150797.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. |
7150797.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150797.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150797.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150797.cif |
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