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Information card for entry 7119728
Preview
Coordinates | 7119728.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H31 N3 O |
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Calculated formula | C33 H31 N3 O |
SMILES | N1(C(=O)c2c(C1c1ccc(cc1)C(C)(C)C)c1c(cc2)cccc1)c1n(nc(c1)C)c1ccc(cc1)C |
Title of publication | Metal-free benzannulation of 1,7-diynes towards unexpected 1-aroyl-2-naphthaldehydes and their application in fused aza-heterocyclic synthesis. |
Authors of publication | Wang, Ai-Fang; Zhou, Peng; Zhu, Yi-Long; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
Journal volume | 53 |
Journal issue | 23 |
Pages of publication | 3369 - 3372 |
a | 10.3789 ± 0.0009 Å |
b | 11.1013 ± 0.0009 Å |
c | 14.0006 ± 0.0012 Å |
α | 95.621 ± 0.001° |
β | 103.538 ± 0.002° |
γ | 117.117 ± 0.003° |
Cell volume | 1356.3 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1102 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.1007 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7119728.html
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