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Information card for entry 1520383
Preview
| Coordinates | 1520383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H67 Cl N4 O2 |
|---|---|
| Calculated formula | C37 H67 Cl N4 O2 |
| SMILES | [Cl-].O=C(NCCCCCCCCCCCC)c1nc2ccccc2[nH]c1=O.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism. |
| Authors of publication | Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2015 |
| Journal volume | 119 |
| Journal issue | 24 |
| Pages of publication | 6223 - 6231 |
| a | 7.72739 ± 0.00014 Å |
| b | 52.0258 ± 0.0009 Å |
| c | 28.9218 ± 0.0005 Å |
| α | 90° |
| β | 93.4544 ± 0.0008° |
| γ | 90° |
| Cell volume | 11606.1 ± 0.4 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 5 |
| 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 | 0.3103 |
| Residual factor for significantly intense reflections | 0.1093 |
| Weighted residual factors for significantly intense reflections | 0.2666 |
| Weighted residual factors for all reflections included in the refinement | 0.3795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.864 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520383.cif |
| 140174 | 2015-07-05 | cif/ Updating files of 1520381, 1520382, 1520383, 1520384 Original log message: Adding full bibliography for 1520381--1520384.cif. |
1520383.cif |
| 138423 | 2015-06-06 | cif/ Adding structures of 1520381, 1520382, 1520383, 1520384 via cif-deposit CGI script. |
1520383.cif |
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Users of the data should acknowledge the original authors of the
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