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Information card for entry 1508324
Preview
Coordinates | 1508324.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H31 N O4 |
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Calculated formula | C30 H31 N O4 |
SMILES | O(c1c(OC)c2C[C@@H]3[C@H]4C(=N[C@@](C[C@H]4c2cc1)(c1ccccc1OC)C3)c1c(OC)cccc1)C.O(c1c(OC)c2C[C@H]3[C@@H]4C(=N[C@](C[C@@H]4c2cc1)(c1ccccc1OC)C3)c1c(OC)cccc1)C |
Title of publication | NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes. |
Authors of publication | Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 15 |
Pages of publication | 3936 - 3939 |
a | 7.3571 ± 0.0005 Å |
b | 8.4928 ± 0.0005 Å |
c | 40.015 ± 0.003 Å |
α | 90° |
β | 94.176 ± 0.002° |
γ | 90° |
Cell volume | 2493.6 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0798 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.1191 |
Weighted residual factors for all reflections included in the refinement | 0.1331 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/1508324.html
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