Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233720
Preview
| Coordinates | 2233720.cif |
|---|---|
| Structure factors | 2233720.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>-Butyl-3-(3,4-dihydroxyphenyl)acrylamide monohydrate |
|---|---|
| Formula | C13 H18 N O3.5 |
| Calculated formula | C13 H18 N O3.5 |
| Title of publication | (<i>E</i>)-<i>N</i>-Butyl-3-(3,4-dihydroxyphenyl)acrylamide hemihydrate |
| Authors of publication | Han, Yan; Hao, Mi-Hua |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o727 |
| a | 12.86 ± 0.007 Å |
| b | 14.928 ± 0.008 Å |
| c | 15.015 ± 0.011 Å |
| α | 90° |
| β | 113.967 ± 0.006° |
| γ | 90° |
| Cell volume | 2634 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181259 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/37. |
2233720.cif 2233720.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. |
2233720.cif 2233720.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233720.cif 2233720.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. | 2233720.cif 2233720.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233720.cif 2233720.hkl |
| 50964 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233720 via cif-deposit CGI script. |
2233720.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.