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Information card for entry 1507867
Preview
Coordinates | 1507867.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H30 N2 O6 |
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Calculated formula | C23 H30 N2 O6 |
SMILES | O1[C@]23Nc4c([C@@]53CC[N+]3([C@H](C2=O)[C@H]([C@@]5(C1)C(=O)[O-])/C(=C\C)C3)C)cccc4.OC.OC |
Title of publication | Calophyline A, a new rearranged monoterpenoid indole alkaloid from Winchia calophylla. |
Authors of publication | Li, Li-Mei; Yang, Tai; Liu, Yang; Liu, Jin; Li, Min-Hui; Wang, Yan-Tang; Yang, Shu-Xia; Zou, Qiang; Li, Guo-You |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 13 |
Pages of publication | 3450 - 3453 |
a | 10.1186 ± 0.0003 Å |
b | 12.1557 ± 0.0003 Å |
c | 16.747 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2059.86 ± 0.09 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0479 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1059 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.7107 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/1507867.html
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