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Information card for entry 1545747
Preview
Coordinates | 1545747.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H12 Br N O2 |
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Calculated formula | C15 H12 Br N O2 |
SMILES | Brc1cc2c3c(n(c2cc1)C(=O)C)cc(OC)cc3 |
Title of publication | An Organic Intermolecular Dehydrogenative Annulation Reaction. |
Authors of publication | Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 8 |
Pages of publication | 2006 - 2009 |
a | 3.927 ± 0.0001 Å |
b | 16.2999 ± 0.0006 Å |
c | 19.0048 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1216.49 ± 0.07 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0403 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.0629 |
Weighted residual factors for all reflections included in the refinement | 0.0822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
196178 (current) | 2017-05-05 | cif/ Updating files of 1545745, 1545746, 1545747 Original log message: Adding full bibliography for 1545745--1545747.cif. |
1545747.cif |
195433 | 2017-04-14 | cif/ Adding structures of 1545747 via cif-deposit CGI script. |
1545747.cif |
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