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Information card for entry 7243989
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Coordinates | 7243989.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H17 N O4 |
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Calculated formula | C23 H17 N O4 |
Title of publication | [3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies |
Authors of publication | Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin |
Journal of publication | RSC Advances |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 61 |
Pages of publication | 38648 - 38653 |
a | 11.4044 ± 0.0013 Å |
b | 5.5305 ± 0.0007 Å |
c | 15.6417 ± 0.0018 Å |
α | 90° |
β | 95.178 ± 0.007° |
γ | 90° |
Cell volume | 982.5 ± 0.2 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 | 0.1724 |
Residual factor for significantly intense reflections | 0.0882 |
Weighted residual factors for significantly intense reflections | 0.1266 |
Weighted residual factors for all reflections included in the refinement | 0.1488 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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270974 (current) | 2021-12-02 | cif/ Adding structures of 7243984, 7243985, 7243986, 7243987, 7243988, 7243989 via cif-deposit CGI script. |
7243989.cif |
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Users of the data should acknowledge the original authors of the
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