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Information card for entry 2007383
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Coordinates | 2007383.cif |
---|---|
Original IUCr paper | HTML |
Common name | Irbesartan |
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Formula | C25 H28 N6 O |
Calculated formula | C25 H28 N6 O |
Title of publication | Irbesartan Crystal Form B |
Authors of publication | Böcskei, Zsolt; Simon, Kálmán; Rao, Renée; Caron, Antoine; Rodger, Charles A.; Bauer, Michel |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1998 |
Journal volume | 54 |
Journal issue | 6 |
Pages of publication | 808 - 810 |
a | 11.17 ± 0.005 Å |
b | 12.181 ± 0.004 Å |
c | 9.366 ± 0.004 Å |
α | 90.75 ± 0.04° |
β | 105.24 ± 0.04° |
γ | 112.92 ± 0.03° |
Cell volume | 1122.9 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.077 |
Residual factor for significantly intense reflections | 0.062 |
Weighted residual factors for all reflections | 0.204 |
Weighted residual factors for significantly intense reflections | 0.17 |
Goodness-of-fit parameter for all reflections | 1.029 |
Goodness-of-fit parameter for significantly intense reflections | 1.06 |
Diffraction radiation wavelength | 1.5418 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/2007383.html
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