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Information card for entry 2243331
Preview
Coordinates | 2243331.cif |
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Structure factors | 2243331.hkl |
Original IUCr paper | HTML |
Common name | 4-Hydroxy-<i>N</i>-methyltryptammonium fumarate |
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Chemical name | Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl]methylazanium} but-2-enedioate |
Formula | C13 H16 N2 O3 |
Calculated formula | C13 H16 N2 O3 |
Title of publication | Norpsilocin: freebase and fumarate salt |
Authors of publication | Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2020 |
Journal volume | 76 |
Journal issue | 4 |
Pages of publication | 589 - 593 |
a | 7.7363 ± 0.001 Å |
b | 9.7146 ± 0.0012 Å |
c | 9.7854 ± 0.0013 Å |
α | 105.524 ± 0.004° |
β | 110.554 ± 0.004° |
γ | 97.167 ± 0.004° |
Cell volume | 643.69 ± 0.15 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297.15 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 | 0.0619 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.0983 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
249820 (current) | 2020-03-28 | cif/ hkl/ Adding structures of 2243330, 2243331 via cif-deposit CGI script. |
2243331.cif 2243331.hkl |
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Users of the data should acknowledge the original authors of the
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