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Information card for entry 7056843
Preview
Coordinates | 7056843.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1'-((1-benzyl-1H-tetrazol-5-yl)methyl)spiro[indoline-3,3'-pyrrolidin]-2-one |
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Formula | C20 H20 N6 O |
Calculated formula | C20 H20 N6 O |
SMILES | O=C1Nc2c(C31CCN(C3)Cc1n(nnn1)Cc1ccccc1)cccc2 |
Title of publication | Synthesis of 1′-tetrazolylmethyl-spiro[pyrrolidine-3,3′-oxindoles] via two coupled one-pot processes Ugi-azide/Pictet‒Spengler and oxidative spiro-rearrangement |
Authors of publication | Alvarez-Rodríguez, Nancy V.; Islas-Jácome, Alejandro; Rentería-Gómez, Angel; Cárdenas-Galindo, Luis E.; Unnamatla, M. V. Basavanag; Gámez-Montaño, Rocío |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 3 |
Pages of publication | 1600 |
a | 17.3115 ± 0.0008 Å |
b | 6.3966 ± 0.0002 Å |
c | 18.3592 ± 0.0009 Å |
α | 90° |
β | 111.585 ± 0.006° |
γ | 90° |
Cell volume | 1890.43 ± 0.16 Å3 |
Cell temperature | 298.5 K |
Ambient diffraction temperature | 298.5 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.101 |
Residual factor for significantly intense reflections | 0.075 |
Weighted residual factors for significantly intense reflections | 0.2133 |
Weighted residual factors for all reflections included in the refinement | 0.2298 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0505 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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