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Information card for entry 7118248
Preview
Coordinates | 7118248.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H24 N2 O3 |
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Calculated formula | C27 H24 N2 O3 |
SMILES | C1(=O)[C@]2(c3ccccc3N1Cc1ccccc1)[C@H](CC(c1ccccc1)=N2)C(=O)OCC.C1(=O)[C@@]2(c3ccccc3N1Cc1ccccc1)[C@@H](CC(c1ccccc1)=N2)C(=O)OCC |
Title of publication | Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides. |
Authors of publication | Zhu, Xu; Chiba, Shunsuke |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 12 |
Pages of publication | 2473 - 2476 |
a | 10.9476 ± 0.0004 Å |
b | 11.03 ± 0.0003 Å |
c | 11.0714 ± 0.0003 Å |
α | 86.1003 ± 0.0017° |
β | 64.8281 ± 0.0017° |
γ | 60.6087 ± 0.0015° |
Cell volume | 1037.28 ± 0.06 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0537 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.1187 |
Weighted residual factors for all reflections included in the refinement | 0.1368 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 7118247 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
7118248.cif |
175868 | 2016-02-04 | cif/ Updating files of 7118247, 7118248, 7118249, 7118250, 7118251, 7118252, 7118253, 7118254 Original log message: Adding full bibliography for 7118247--7118254.cif. |
7118248.cif |
173476 | 2016-01-05 | cif/ Adding structures of 7118248, 7118249, 7118250, 7118251, 7118252, 7118253, 7118254 via cif-deposit CGI script. |
7118248.cif |
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Users of the data should acknowledge the original authors of the
structural data.