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Information card for entry 7221566
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Coordinates | 7221566.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H15 Br O |
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Calculated formula | C19 H15 Br O |
SMILES | Brc1ccc(cc1)C(O)(c1ccccc1)c1ccccc1 |
Title of publication | Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds |
Authors of publication | Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin |
Journal of publication | CrystEngComm |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 33 |
Pages of publication | 6355 |
a | 10.7736 ± 0.0002 Å |
b | 15.2684 ± 0.0003 Å |
c | 18.6621 ± 0.0003 Å |
α | 90° |
β | 104.275 ± 0.001° |
γ | 90° |
Cell volume | 2975.05 ± 0.09 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0408 |
Residual factor for significantly intense reflections | 0.0292 |
Weighted residual factors for significantly intense reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.0801 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7221566.html
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structural data.