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Information card for entry 7218718
Preview
Coordinates | 7218718.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H28 Cl N3 O4 |
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Calculated formula | C32 H28 Cl N3 O4 |
SMILES | c12ccc(cc1c(c[nH]2)CCn1cc(C(=O)OCC)c(C2C(=O)Nc3c2cc(cc3)Cl)c1c1ccccc1)OC |
Title of publication | One-pot synthesis of 6,11-dihydro-5H-indolizino[8,7-b]indoles via sequential formation of β-enamino ester, Michael addition and Pictet-Spengler reactions |
Authors of publication | Yan, Chao Guo; Zhu, Dan; Sun, Jing |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
a | 10.2361 ± 0.0014 Å |
b | 10.7356 ± 0.0015 Å |
c | 14.661 ± 0.002 Å |
α | 88.151 ± 0.004° |
β | 74.97 ± 0.004° |
γ | 79.593 ± 0.004° |
Cell volume | 1530.2 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0883 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for significantly intense reflections | 0.1639 |
Weighted residual factors for all reflections included in the refinement | 0.178 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180518 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87. |
7218718.cif |
126658 | 2014-11-08 | cif/ Adding structures of 7218718, 7218719, 7218720, 7218721, 7218722, 7218723 via cif-deposit CGI script. |
7218718.cif |
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Users of the data should acknowledge the original authors of the
structural data.