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Information card for entry 7108056
Preview
Coordinates | 7108056.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H35 N3 O5 S |
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Calculated formula | C36 H35 N3 O5 S |
SMILES | S(=O)(=O)(N1[C@@H]2Nc3ccccc3[C@@]32[C@](C1=O)(C(=O)N(CC3)Cc1ccccc1)c1ccccc1)c1ccc(cc1)C.O=C(C)C.S(=O)(=O)(N1[C@H]2Nc3ccccc3[C@]32[C@@](C1=O)(C(=O)N(CC3)Cc1ccccc1)c1ccccc1)c1ccc(cc1)C.O=C(C)C |
Title of publication | Cascade annulation of malonic diamides: a concise synthesis of polycyclic pyrroloindolines |
Authors of publication | Feng Fan; Weiqing Xie; Dawei Ma |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 7571 |
a | 10.477 ± 0.0006 Å |
b | 11.2649 ± 0.0007 Å |
c | 27.4274 ± 0.0016 Å |
α | 90° |
β | 100.494 ± 0.001° |
γ | 90° |
Cell volume | 3182.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0702 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.1267 |
Weighted residual factors for all reflections included in the refinement | 0.1366 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/7108056.html
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