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Information card for entry 2228427
Preview
Coordinates | 2228427.cif |
---|---|
Structure factors | 2228427.hkl |
Original IUCr paper | HTML |
Chemical name | <i>N</i>-(3,9-dimethyl-4-phenyl-2,5-dioxo-3,4-dihydro- 2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromen-3-yl)-<i>N</i>-methylbenzamide methanol monosolvate |
---|---|
Formula | C29 H27 N O6 |
Calculated formula | C29 H27 N O6 |
Title of publication | A functionalized enol lactone containing a protected α-amino acid |
Authors of publication | Bruno, Giuseppe; Nicoló, Francesco; Cordaro, Massimiliano; Grassi, Giovanni; Risitano, Francesco |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 12 |
Pages of publication | o3356 |
a | 10.7435 ± 0.0014 Å |
b | 9.9056 ± 0.0017 Å |
c | 23.298 ± 0.003 Å |
α | 90° |
β | 94.817 ± 0.007° |
γ | 90° |
Cell volume | 2470.6 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0852 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.1134 |
Weighted residual factors for all reflections included in the refinement | 0.1318 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181205 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/84. |
2228427.cif 2228427.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228427.cif 2228427.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228427.cif 2228427.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228427.cif 2228427.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228427.cif 2228427.hkl |
11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228427.cif 2228427.hkl |
5786 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228422, 2228423, 2228424, 2228425, 2228426, 2228427, 2228428, 2228429, 2228430, 2228431 via cif-deposit CGI script. |
2228427.cif |
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Users of the data should acknowledge the original authors of the
structural data.