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Information card for entry 1555495
Preview
Coordinates | 1555495.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H22 Br N3 O5.5 |
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Calculated formula | C24 H22 Br N3 O5.5 |
SMILES | c1(ccc2c(c1)[C@]1(C(=O)N2C)c2c(n(nc2C)c2ccccc2)O[C@](O)(C1)C(=O)OCC)Br.O |
Title of publication | Enantioselective Synthesis of Dihydrospiro[indoline-3,4'-pyrano[2,3-c]pyrazole] Derivatives via Michael/Hemiketalization Reaction. |
Authors of publication | Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 6 |
Pages of publication | 1354 - 1357 |
a | 12.8376 ± 0.0005 Å |
b | 12.9227 ± 0.0006 Å |
c | 14.0967 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2338.59 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0902 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0952 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1555495.html
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