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Information card for entry 4023707
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Coordinates | 4023707.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | (-)-brunsvigine diacetate |
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Chemical name | (1S,13S,15R,16S)-15-(Methylcarbonyloxy)5,7-dioxa-12-azapentacyclo [10.6.1.02,10.04,8.013,18]nonadeca-2(10),3,8,17-tetraen-16-ylacetate |
Formula | C20 H21 N O6 |
Calculated formula | C20 H21 N O6 |
SMILES | O1COc2c1cc1CN3[C@H]4C[C@@H](OC(=O)C)[C@@H](OC(=O)C)C=C4[C@H](c1c2)C3 |
Title of publication | An Expedient Route to Montanine-Type Amaryllidaceae Alkaloids: Total Syntheses of (-)-Brunsvigine and (-)-Manthine |
Authors of publication | An-Wei Hong; Tsung-Hui Cheng; Vellingiri Raghukumar; Chin-Kang Sha |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2008 |
Journal volume | 73 |
Pages of publication | 7580 - 7585 |
a | 11.8014 ± 0.0003 Å |
b | 5.5198 ± 0.0001 Å |
c | 14.1673 ± 0.0004 Å |
α | 90° |
β | 97.758 ± 0.001° |
γ | 90° |
Cell volume | 914.43 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0548 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.1342 |
Weighted residual factors for all reflections included in the refinement | 0.1419 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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