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Information card for entry 2018196
Preview
Coordinates | 2018196.cif |
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Structure factors | 2018196.hkl |
Original IUCr paper | HTML |
Chemical name | 5-hydroxy-6-methyl-2-pyridone acetone 0.167-solvate |
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Formula | C6.5 H8 N O2.1667 |
Calculated formula | C6.51 H8.02 N O2.17 |
Title of publication | Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone |
Authors of publication | Parkin, Sean R.; Behrman, Edward J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 8 |
Pages of publication | o324 - o328 |
a | 24.7962 ± 0.0003 Å |
b | 24.7962 ± 0.0003 Å |
c | 5.2924 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2818.08 ± 0.07 Å3 |
Cell temperature | 90 ± 0.2 K |
Ambient diffraction temperature | 90 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0666 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1118 |
Weighted residual factors for all reflections included in the refinement | 0.13 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
180850 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018196.cif 2018196.hkl |
176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2018196.cif 2018196.hkl |
125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018196.cif 2018196.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. | 2018196.cif 2018196.hkl |
27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2018196.cif 2018196.hkl |
27141 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2018196, 2018197, 2018198, 2018199, 2018200, 2018201, 2018202 via cif-deposit CGI script. |
2018196.cif |
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