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Information card for entry 4110269
Preview
Coordinates | 4110269.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H20 O3 |
---|---|
Calculated formula | C11 H20 O3 |
Title of publication | Total Synthesis of (-)-Okilactomycin |
Authors of publication | Amos B. Smith; Kallol Basu; Todd Bosanac |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 14872 - 14874 |
a | 12.722 ± 0.0015 Å |
b | 13.0859 ± 0.0015 Å |
c | 14.9523 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2489.2 ± 0.5 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0552 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1189 |
Weighted residual factors for all reflections included in the refinement | 0.1268 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178873 (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 4/11/02. |
4110269.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110269.cif |
59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110269.cif |
59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110269.cif |
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Users of the data should acknowledge the original authors of the
structural data.