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Information card for entry 7220887
Preview
Coordinates | 7220887.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H20 N2 O3 |
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Calculated formula | C16 H20 N2 O3 |
SMILES | c1(cc(c(cc1)/C=C\1C(=O)OC(=N1)C)OC)N(CC)CC |
Title of publication | Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. |
Authors of publication | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 32 |
Pages of publication | 20515 - 20521 |
a | 7.1834 ± 0.0005 Å |
b | 12.7135 ± 0.0008 Å |
c | 16.514 ± 0.0011 Å |
α | 90° |
β | 97.201 ± 0.002° |
γ | 90° |
Cell volume | 1496.26 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0405 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.1154 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.754 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7220887.html
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Users of the data should acknowledge the original authors of the
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