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Information card for entry 4024746
Preview
Coordinates | 4024746.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H28 Br2 N5 O3 Si |
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Calculated formula | C25 H28 Br2 N5 O3 Si |
Title of publication | Exploring Symmetry-Based Logic for a Synthesis of Palau'amine |
Authors of publication | Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Pages of publication | 5909 - 5919 |
a | 14.476 ± 0.012 Å |
b | 14.203 ± 0.012 Å |
c | 14.986 ± 0.013 Å |
α | 90° |
β | 113.122 ± 0.037° |
γ | 90° |
Cell volume | 2833.7 ± 4.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.1206 |
Residual factor for significantly intense reflections | 0.0728 |
Weighted residual factors for significantly intense reflections | 0.2129 |
Weighted residual factors for all reflections included in the refinement | 0.2384 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4024746.cif |
120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024746.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024746.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024746.cif |
948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024746.cif |
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Users of the data should acknowledge the original authors of the
structural data.