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Information card for entry 7203152
Preview
Coordinates | 7203152.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 N2 O |
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Calculated formula | C23 H26 N2 O |
SMILES | N(c1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccccc2)cc1)(C)C |
Title of publication | Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs |
Authors of publication | Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga |
Journal of publication | CrystEngComm |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 3 |
Pages of publication | 233 |
a | 12.087 ± 0.004 Å |
b | 16.628 ± 0.005 Å |
c | 10.264 ± 0.008 Å |
α | 96.19 ± 0.06° |
β | 95.7 ± 0.06° |
γ | 107.22 ± 0.03° |
Cell volume | 1940.1 ± 1.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.168 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.0816 |
Weighted residual factors for all reflections included in the refinement | 0.1165 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.715 |
Diffraction radiation wavelength | 1.54138 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7203152.html
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