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Information card for entry 4504665
Preview
| Coordinates | 4504665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C22 H23 N4 O3 P |
|---|---|
| Calculated formula | C22 H23 N4 O3 P |
| SMILES | P(=O)(N(/N=C/c1ccc(O)cc1)C)(N(/N=C/c1ccc(O)cc1)C)c1ccccc1 |
| Title of publication | Influence of O−H···OP Hydrogen Bonding on the Supramolecular Architectures of Phosphorus-Based Hydrazones: Alternate Right- and Left-Handed Fused Helical Chains Based on O−H···OP Hydrogen Bonds in the Crystal Structure of C6H5P(O)[N(CH3)NCHC6H4-p-OH]2 |
| Authors of publication | Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Bickley, Jamie F.; Steiner, Alexander |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | 910 |
| a | 8.7339 ± 0.0011 Å |
| b | 12.202 ± 0.002 Å |
| c | 20.083 ± 0.003 Å |
| α | 90° |
| β | 90.886 ± 0.015° |
| γ | 90° |
| Cell volume | 2140 ± 0.5 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0475 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4504665.cif |
| 179581 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/46. |
4504665.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504665.cif |
| 47469 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504665, 4504666, 4504667 via cif-deposit CGI script. |
4504665.cif |
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Users of the data should acknowledge the original authors of the
structural data.