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Information card for entry 4022872
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Coordinates | 4022872.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cs537 |
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Formula | C47 H55 F12 N3 O14 P2 |
Calculated formula | C47 H54 F12 N3 O14 P2 |
Title of publication | Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8 |
Authors of publication | Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 3381 - 3393 |
a | 10.545 ± 0.003 Å |
b | 13.057 ± 0.003 Å |
c | 19.973 ± 0.006 Å |
α | 80.93 ± 0.02° |
β | 75.01 ± 0.03° |
γ | 71.65 ± 0.02° |
Cell volume | 2512.7 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0956 |
Residual factor for significantly intense reflections | 0.0683 |
Weighted residual factors for significantly intense reflections | 0.1708 |
Weighted residual factors for all reflections included in the refinement | 0.1841 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4022872.html
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