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Information card for entry 7156871
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Coordinates | 7156871.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 O2 |
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Calculated formula | C17 H18 O2 |
Title of publication | Iron-catalyzed domino Knoevenagel-hetero-Diels-Alder reaction: facile access to oxabicyclo[3.3.1]nonene derivatives. |
Authors of publication | Wu, Mingchang; Yang, Junhang; Luo, Fang; Cheng, Cungui; Zhu, Gangguo |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 23 |
Pages of publication | 5684 - 5687 |
a | 13.7694 ± 0.0004 Å |
b | 12.6853 ± 0.0004 Å |
c | 16.4364 ± 0.0005 Å |
α | 90° |
β | 107.839 ± 0.003° |
γ | 90° |
Cell volume | 2732.9 ± 0.15 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1042 |
Residual factor for significantly intense reflections | 0.0743 |
Weighted residual factors for significantly intense reflections | 0.2455 |
Weighted residual factors for all reflections included in the refinement | 0.2738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.879 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
225251 (current) | 2019-11-08 | cif/ Updating files of 7156871 Original log message: Adding full bibliography for 7156871.cif. |
7156871.cif |
215342 | 2019-05-21 | cif/ Adding structures of 7156871 via cif-deposit CGI script. |
7156871.cif |
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Users of the data should acknowledge the original authors of the
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