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Information card for entry 7061017
Preview
Coordinates | 7061017.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H25 N O3 |
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Calculated formula | C23 H25 N O3 |
Title of publication | A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester |
Authors of publication | Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 44 |
Pages of publication | 20735 - 20742 |
a | 9.6415 ± 0.0007 Å |
b | 9.7108 ± 0.0008 Å |
c | 11.1357 ± 0.0009 Å |
α | 90° |
β | 97.262 ± 0.001° |
γ | 90° |
Cell volume | 1034.24 ± 0.14 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0962 |
Residual factor for significantly intense reflections | 0.0619 |
Weighted residual factors for significantly intense reflections | 0.1572 |
Weighted residual factors for all reflections included in the refinement | 0.1804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
271187 (current) | 2021-12-07 | cif/ Updating files of 7061017, 7061018, 7061019, 7061020, 7061021 Original log message: Adding full bibliography for 7061017--7061021.cif. |
7061017.cif |
269963 | 2021-10-15 | cif/ Adding structures of 7061017, 7061018, 7061019, 7061020, 7061021 via cif-deposit CGI script. |
7061017.cif |
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Users of the data should acknowledge the original authors of the
structural data.