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Information card for entry 7224405
Preview
Coordinates | 7224405.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H46 N2 O12 |
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Calculated formula | C44 H46 N2 O12 |
SMILES | c12cc(c(cc1O)O)[C@H](c1cc(c(cc1O)O)[C@@H](C)c1cc(c(cc1O)O)[C@H](c1cc(c(cc1O)O)[C@H]2C)C)C.O=n1ccc(cc1)OC.c1cc(ccn1=O)OC |
Title of publication | Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state |
Authors of publication | Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 26 |
Pages of publication | 4971 |
a | 18.6065 ± 0.0003 Å |
b | 14.6623 ± 0.0003 Å |
c | 14.2271 ± 0.0003 Å |
α | 90° |
β | 102.641 ± 0.0018° |
γ | 90° |
Cell volume | 3787.27 ± 0.13 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 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 | 0.0352 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0816 |
Weighted residual factors for all reflections included in the refinement | 0.0839 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/7224405.html
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