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Information card for entry 7121751
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7121751.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H23 Br N2 O6 |
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Calculated formula | C27 H23 Br N2 O6 |
Title of publication | Organocatalytic synthesis of densely functionalized oxa-bridged 2,6-epoxybenzo[b][1,5]oxazocine heterocycles. |
Authors of publication | Gurubrahamam, Ramani; Nagaraju, Koppanathi; Chen, Kwunmin |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 47 |
Pages of publication | 6048 - 6051 |
a | 16.1053 ± 0.0013 Å |
b | 20.5425 ± 0.0016 Å |
c | 16.542 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5472.8 ± 0.7 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1358 |
Residual factor for significantly intense reflections | 0.0887 |
Weighted residual factors for significantly intense reflections | 0.1406 |
Weighted residual factors for all reflections included in the refinement | 0.158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
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/7121751.html
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structural data.