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Information card for entry 4115224
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Coordinates | 4115224.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H23 Br N O4 |
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Calculated formula | C19 H19 Br N O4 |
Title of publication | Synthesis of (-)-Morphine |
Authors of publication | Douglass F. Taber; Timothy D. Neubert; Arnold L. Rheingold |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 12416 - 12417 |
a | 14.771 ± 0.003 Å |
b | 5.0353 ± 0.0008 Å |
c | 26.11 ± 0.004 Å |
α | 90° |
β | 98.8 ± 0.005° |
γ | 90° |
Cell volume | 1919.1 ± 0.6 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0716 |
Residual factor for significantly intense reflections | 0.0553 |
Weighted residual factors for significantly intense reflections | 0.1298 |
Weighted residual factors for all reflections included in the refinement | 0.1357 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178923 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/52. |
4115224.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115224.cif |
68667 | 2012-11-14 | cif/ Adding structures of 4115224 via cif-deposit CGI script. |
4115224.cif |
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Users of the data should acknowledge the original authors of the
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