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Information card for entry 7053700
Preview
Coordinates | 7053700.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H37.8 N4 O1.9 |
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Calculated formula | C29 H37.8 N4 O1.9 |
Title of publication | Anion recognition by N-confused calix[4]pyrrole-α-carbaldehyde and its Knoevenagel reaction derivatives |
Authors of publication | Dehaen, Wim; Gale, Philip A.; García-Garrido, Sergio E.; Kostermans, Maarten; Light, Mark E. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2007 |
Journal volume | 31 |
Journal issue | 5 |
Pages of publication | 691 |
a | 10.1714 ± 0.0003 Å |
b | 10.1756 ± 0.0003 Å |
c | 13.1069 ± 0.0004 Å |
α | 107.535 ± 0.002° |
β | 92.714 ± 0.002° |
γ | 91.38 ± 0.002° |
Cell volume | 1291.03 ± 0.07 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.1112 |
Residual factor for significantly intense reflections | 0.0693 |
Weighted residual factors for significantly intense reflections | 0.1779 |
Weighted residual factors for all reflections included in the refinement | 0.2009 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7053700.html
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Users of the data should acknowledge the original authors of the
structural data.