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Information card for entry 1553440
Preview
Coordinates | 1553440.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H20 O |
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Calculated formula | C29 H20 O |
SMILES | O=C1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes |
Authors of publication | Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2016 |
Journal volume | 3 |
Journal issue | 5 |
Pages of publication | 603 |
a | 26.128 ± 0.002 Å |
b | 8.1552 ± 0.0008 Å |
c | 21.487 ± 0.002 Å |
α | 90° |
β | 119.724 ± 0.002° |
γ | 90° |
Cell volume | 3976 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0664 |
Residual factor for significantly intense reflections | 0.0532 |
Weighted residual factors for significantly intense reflections | 0.1243 |
Weighted residual factors for all reflections included in the refinement | 0.1312 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
234995 (current) | 2019-11-23 | cif/ Adding structures of 1553435, 1553436, 1553437, 1553438, 1553439, 1553440 via cif-deposit CGI script. |
1553440.cif |
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Users of the data should acknowledge the original authors of the
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