Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233118
Preview
| Coordinates | 2233118.cif |
|---|---|
| Structure factors | 2233118.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 3,3'-[Biphenyl-4,4'-diylbis(oxy)]diphthalic acid |
|---|---|
| Formula | C28 H18 O10 |
| Calculated formula | C28 H18 O10 |
| SMILES | C(=O)(c1c(C(=O)O)c(ccc1)Oc1ccc(cc1)c1ccc(cc1)Oc1c(C(=O)O)c(C(=O)O)ccc1)O |
| Title of publication | 3,3'-[Biphenyl-4,4'-diylbis(oxy)]diphthalic acid |
| Authors of publication | Zhao, Ningning; Li, Wenjun; Chang, Zhidong; Sun, Changyan; Fan, Hongxia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o211 |
| a | 21.5817 ± 0.0007 Å |
| b | 11.2676 ± 0.0004 Å |
| c | 9.5025 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2310.76 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0617 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2233118.cif 2233118.hkl |
| 181253 | 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 2/23/31. |
2233118.cif 2233118.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233118.cif 2233118.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233118.cif 2233118.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. | 2233118.cif 2233118.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233118.cif 2233118.hkl |
| 32172 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233118 via cif-deposit CGI script. |
2233118.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.