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Information card for entry 4026638
Preview
Coordinates | 4026638.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H11 N3 O4 |
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Calculated formula | C12 H11 N3 O4 |
SMILES | O=C1N(C(=NC\1=C/c1c(O)ccc(N(=O)=O)c1)C)C |
Title of publication | Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore |
Authors of publication | Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 8189 - 8202 |
a | 24.398 ± 0.004 Å |
b | 3.8017 ± 0.0006 Å |
c | 26.608 ± 0.004 Å |
α | 90° |
β | 113.302 ± 0.006° |
γ | 90° |
Cell volume | 2266.7 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1106 |
Residual factor for significantly intense reflections | 0.078 |
Weighted residual factors for significantly intense reflections | 0.2111 |
Weighted residual factors for all reflections included in the refinement | 0.2312 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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