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Information card for entry 7216972
Preview
Coordinates | 7216972.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H16 N2 O |
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Calculated formula | C18 H16 N2 O |
SMILES | O=C1C(Nc2c1cccc2)(C)c1c([nH]c2c1cccc2)C |
Title of publication | Radical intermediates in the peroxidation of indoles |
Authors of publication | Astolfi, Paola; Greci, Lucedio; Rizzoli, Corrado; Sgarabotto, Paolo; Marrosu, Giancarlo |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2001 |
Journal issue | 9 |
Pages of publication | 1634 |
a | 10.568 ± 0.003 Å |
b | 7.1 ± 0.002 Å |
c | 9.755 ± 0.003 Å |
α | 93.28 ± 0.03° |
β | 106.67 ± 0.04° |
γ | 95.05 ± 0.03° |
Cell volume | 695.8 ± 0.4 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0715 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for all reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.0589 |
Goodness-of-fit parameter for all reflections | 0.898 |
Goodness-of-fit parameter for significantly intense reflections | 1.09 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7216972.html
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