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Information card for entry 7159025
Preview
Coordinates | 7159025.cif |
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Original paper (by DOI) | HTML |
Chemical name | N-phenylnaphtho[2,1-b]thiophen-1-amine |
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Formula | C18 H13 N S |
Calculated formula | C18 H13 N S |
SMILES | s1cc(Nc2ccccc2)c2c1ccc1c2cccc1 |
Title of publication | Reaction of 1-acetonaphthones with anilines and elemental sulfur: rapid construction of 1-anilinonaphtho[2,1-<i>b</i>]thiophenes. |
Authors of publication | Nguyen, Hoang Yen; Tran, Thi Minh Chau; Nguyen, Van Ha; Retailleau, Pascal; Mac, Dinh Hung; Nguyen, Thanh Binh |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 3 |
Pages of publication | 503 - 507 |
a | 5.7573 ± 0.0003 Å |
b | 8.3305 ± 0.0006 Å |
c | 30.537 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1464.59 ± 0.16 Å3 |
Cell temperature | 293.1 ± 1 K |
Ambient diffraction temperature | 293.1 ± 1 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0688 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1207 |
Weighted residual factors for all reflections included in the refinement | 0.1335 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
283494 (current) | 2023-05-05 | cif/ Updating files of 7159025 Original log message: Adding full bibliography for 7159025.cif. |
7159025.cif |
279717 | 2022-12-06 | cif/ Adding structures of 7159025 via cif-deposit CGI script. |
7159025.cif |
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Users of the data should acknowledge the original authors of the
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