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Information card for entry 1513365
Preview
Coordinates | 1513365.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H22 N2 O3 |
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Calculated formula | C19 H22 N2 O3 |
SMILES | C1(=O)[C@@H]2[C@@]3(CC(=O)N4CCC[C@@](C2)(CC)[C@]34O)c2ccccc2N1 |
Title of publication | Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F. |
Authors of publication | Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok |
Journal of publication | Journal of natural products |
Year of publication | 2014 |
Journal volume | 77 |
Journal issue | 2 |
Pages of publication | 327 - 338 |
a | 9.6652 ± 0.0005 Å |
b | 16.1799 ± 0.0009 Å |
c | 21.1959 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3314.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0409 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0877 |
Weighted residual factors for all reflections included in the refinement | 0.0905 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/1513365.html
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