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Information card for entry 4134348
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Coordinates | 4134348.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | KMK-20190730 |
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Formula | C23 H21 B N2 O |
Calculated formula | C23 H21 B N2 O |
SMILES | [B@@]123c4ccccc4CN1c1ccccc1C(c1ccccc1)=[N]2CCCO3 |
Title of publication | Optical and Fluorescent Dual Sensing of Aminoalcohols by in situ Generation of BODIPY-like Chromophore. |
Authors of publication | Shirbhate, Mukesh Eknath; Kwon, Seongyeon; Song, Ayoung; Kim, Seungha; Kim, Dayeh; Huang, Haofei; Kim, Youngmee; Lee, Hanna; Kim, Sung-Jin; Baik, Mu-Hyun; Yoon, Juyoung; Kim, Kwan Mook |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
a | 8.0722 ± 0.0004 Å |
b | 11.6849 ± 0.0005 Å |
c | 19.3159 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1821.93 ± 0.15 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0643 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.0849 |
Weighted residual factors for all reflections included in the refinement | 0.0958 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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