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Information card for entry 1506101
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1506101.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H17 N2 |
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Calculated formula | C21 H17 N2 |
SMILES | N1(c2ccccc2C2(c3ccccc3N=C12)c1ccccc1)C |
Title of publication | Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles. |
Authors of publication | Magnus, Philip; Turnbull, Rachel |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 16 |
Pages of publication | 3497 - 3499 |
a | 6.2294 ± 0.0005 Å |
b | 17.619 ± 0.0011 Å |
c | 14.104 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1548 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1653 |
Residual factor for significantly intense reflections | 0.0677 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1409 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1506101.html
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Users of the data should acknowledge the original authors of the
structural data.