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Information card for entry 1505899
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Coordinates | 1505899.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | dicyclohexylammonium benzotriazolate phenol (1:1:1) |
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Formula | C24 H34 N4 O |
Calculated formula | C24 H34 N4 O |
Title of publication | Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state. |
Authors of publication | Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 8 |
Pages of publication | 1577 - 1579 |
a | 14.607 ± 0.003 Å |
b | 17.531 ± 0.003 Å |
c | 18.792 ± 0.003 Å |
α | 90° |
β | 103.93 ± 0.06° |
γ | 90° |
Cell volume | 4670.6 ± 1.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.0812 |
Residual factor for significantly intense reflections | 0.0709 |
Weighted residual factors for significantly intense reflections | 0.1966 |
Weighted residual factors for all reflections included in the refinement | 0.2276 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1505899.html
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