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Information card for entry 1502617
Preview
Coordinates | 1502617.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H28 Cl N7 O |
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Calculated formula | C31 H28 Cl N7 O |
SMILES | Clc1ccc(Oc2c3N(C)c4nc(N(C)c5nc(N(C)c6nc(N(c2ccc3)C)ccc6)ccc5)ccc4)cc1 |
Title of publication | Regiospecific functionalization of azacalixaromatics through copper-mediated aryl C-H activation and C-O bond formation. |
Authors of publication | Wang, Zu-Li; Zhao, Liang; Wang, Mei-Xiang |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 24 |
Pages of publication | 6560 - 6563 |
a | 15.473 ± 0.002 Å |
b | 18.679 ± 0.003 Å |
c | 18.972 ± 0.003 Å |
α | 90° |
β | 95.737 ± 0.003° |
γ | 90° |
Cell volume | 5455.8 ± 1.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1323 |
Residual factor for significantly intense reflections | 0.1111 |
Weighted residual factors for significantly intense reflections | 0.2639 |
Weighted residual factors for all reflections included in the refinement | 0.2763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
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/1502617.html
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Users of the data should acknowledge the original authors of the
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