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Information card for entry 2233822
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| Coordinates | 2233822.cif |
|---|---|
| Structure factors | 2233822.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | (6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) dioxide dihydrate |
|---|---|
| Chemical name | (6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) <i>P</i>,<i>P</i>'-dioxide dihydrate |
| Formula | C38 H36 O6 P2 |
| Calculated formula | C38 H36 O6 P2 |
| SMILES | P(=O)(c1c(c(OC)ccc1)c1c(P(=O)(c2ccccc2)c2ccccc2)cccc1OC)(c1ccccc1)c1ccccc1.O.O |
| Title of publication | (6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) <i>P</i>,<i>P</i>'-dioxide dihydrate |
| Authors of publication | Dai, Dongmei; Tang, Lin; Gong, Yanqing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o804 |
| a | 13.108 ± 0.003 Å |
| b | 15.65 ± 0.003 Å |
| c | 33.967 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6968 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
2233822.cif 2233822.hkl |
| 181260 | 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 2/23/38. |
2233822.cif 2233822.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. |
2233822.cif 2233822.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233822.cif 2233822.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. | 2233822.cif 2233822.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233822.cif 2233822.hkl |
| 51074 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233822 via cif-deposit CGI script. |
2233822.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.