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Information card for entry 1504008
Preview
Coordinates | 1504008.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | C-Hexyl-6,10:12,16:18,22:24,4-O,O'-tetrakis(quinoxaline- 2,3-diyl)calix[4]resorcinarene phenyl azide adduct |
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Formula | C90 H85 N11 O8 |
Calculated formula | C90 H85 N11 O8 |
SMILES | N(=N#N)c1ccccc1.O1c2nc3c(nc2Oc2cc4Oc5nc6c(nc5Oc5c7cc8c(Oc9nc%10c(nc9Oc9cc%11Oc%12nc%13c(nc%12Oc%12cc1c(cc%12C(c%11cc9C8CCCCCC)CCCCCC)C(c2cc4C7CCCCCC)CCCCCC)cccc%13)cccc%10)c5)cccc6)cccc3 |
Title of publication | Controllable selective functionalization of a cavitand via solid state photolysis of an encapsulated phenyl azide. |
Authors of publication | Wagner, Gerald; Arion, Vladimir B.; Brecker, Lothar; Krantz, Carsten; Mieusset, Jean-Luc; Brinker, Udo H. |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 14 |
Pages of publication | 3056 - 3058 |
a | 13.5021 ± 0.0009 Å |
b | 15.7541 ± 0.0008 Å |
c | 18.9376 ± 0.0011 Å |
α | 70.524 ± 0.002° |
β | 88.842 ± 0.003° |
γ | 77.787 ± 0.003° |
Cell volume | 3706.3 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0806 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.0898 |
Weighted residual factors for all reflections included in the refinement | 0.1046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/1504008.html
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Users of the data should acknowledge the original authors of the
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