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Information card for entry 1506110
Preview
| Coordinates | 1506110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C26 H30 N5 O8 |
|---|---|
| Calculated formula | C26 H30 N5 O8 |
| SMILES | [nH]1c(Nc2ccc(cc2)CCCC)nc2n(cnc2c1=O)[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C |
| Title of publication | G-quartet formation from an N2-modified guanosine derivative |
| Authors of publication | Liu, Xiangyang; Kwan, Irene C. M.; Wang, Suning; Wu, Gang |
| Journal of publication | Organic Letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 17 |
| Pages of publication | 3685 - 3688 |
| a | 9.019 ± 0.002 Å |
| b | 10.726 ± 0.003 Å |
| c | 14.449 ± 0.004 Å |
| α | 90° |
| β | 105.111 ± 0.004° |
| γ | 90° |
| Cell volume | 1349.4 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0919 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218622 (current) | 2019-09-20 | cif/1/ Updated bibliographic information in entries 1506110, 1513312. |
1506110.cif |
| 201954 | 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. |
1506110.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. |
1506110.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506110.cif |
| 86399 | 2013-07-09 | smi/1 Adding simplified SMILES for compounds with Z'>1 in subdir 1 |
1506110.cif |
| 48001 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506110 via cif-deposit CGI script. |
1506110.cif |
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Users of the data should acknowledge the original authors of the
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