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Information card for entry 4102334
Preview
| Coordinates | 4102334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C12 H12 N2 O2 |
|---|---|
| Calculated formula | C12 H12 N2 O2 |
| SMILES | c1c(/C=C2/C(=O)N(C(=N2)C)C)cccc1O |
| Title of publication | Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing |
| Authors of publication | Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 5845 - 5857 |
| a | 7.0404 ± 0.0008 Å |
| b | 7.2141 ± 0.0007 Å |
| c | 11.4902 ± 0.0011 Å |
| α | 74.02 ± 0.006° |
| β | 80.942 ± 0.006° |
| γ | 75.193 ± 0.004° |
| Cell volume | 540.02 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0985 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.1891 |
| Weighted residual factors for all reflections included in the refinement | 0.2079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| 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. |
4102334.cif |
| 178769 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/23. |
4102334.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102334.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102334.cif |
| 25199 | 2011-09-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4102334 via cif-deposit CGI script. |
4102334.cif |
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Users of the data should acknowledge the original authors of the
structural data.