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Information card for entry 1506302
Preview
| Coordinates | 1506302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 2,4,5,7-tetramethoxynaphthaldehyde |
|---|---|
| Chemical name | 2,4,5,7-tetramethoxynaphthaldehyde |
| Formula | C15 H16 O5 |
| Calculated formula | C15 H16 O5 |
| SMILES | O(c1c(c2cc(cc(c2c(OC)c1)OC)OC)C=O)C |
| Title of publication | Carbocations in action. Design, synthesis, and evaluation of a highly acid-sensitive naphthalene-based backbone amide linker for solid-phase synthesis. |
| Authors of publication | Pittelkow, Michael; Boas, Ulrik; Christensen, Jørn B |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 25 |
| Pages of publication | 5817 - 5820 |
| a | 8.193 ± 0.0007 Å |
| b | 8.974 ± 0.0009 Å |
| c | 18.504 ± 0.0013 Å |
| α | 89.169 ± 0.008° |
| β | 81.157 ± 0.006° |
| γ | 72.754 ± 0.008° |
| Cell volume | 1283.2 ± 0.2 Å3 |
| Cell temperature | 122 ± 2 K |
| Ambient diffraction temperature | 122 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506302.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506302.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506302.cif |
| 48170 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506302 via cif-deposit CGI script. |
1506302.cif |
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Users of the data should acknowledge the original authors of the
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