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Information card for entry 4030304
Preview
Coordinates | 4030304.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46.4 H47.2 Br2 Cl0.8 N6 O8.2 |
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Calculated formula | C46.4029 H47.1938 Br2 Cl0.806 N6 O8.194 |
Title of publication | Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. |
Authors of publication | Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 1 |
Pages of publication | 528 |
a | 17.6618 ± 0.0008 Å |
b | 17.4368 ± 0.0007 Å |
c | 13.5068 ± 0.0005 Å |
α | 90° |
β | 96.873 ± 0.002° |
γ | 90° |
Cell volume | 4129.7 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0953 |
Residual factor for significantly intense reflections | 0.0585 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.0967 |
Goodness-of-fit parameter for all reflections included in the refinement | 3.308 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
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. |
4030304.cif |
138287 | 2015-06-05 | cif/ Updating files of 4030304, 4030305, 4030306, 4030307, 4030308, 4030309, 4030310, 4030311, 4030312, 4030313 Original log message: Adding full bibliography for 4030304--4030313.cif. |
4030304.cif |
128335 | 2014-12-06 | cif/ Adding structures of 4030304 via cif-deposit CGI script. |
4030304.cif |
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Users of the data should acknowledge the original authors of the
structural data.