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Information card for entry 7123498
Preview
Coordinates | 7123498.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H28 Cl3 F3 N2 O3 S |
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Calculated formula | C40 H28 Cl3 F3 N2 O3 S |
Title of publication | Orchestrated catalytic double rollover annulation: Rapid access to N-enriched cationic and neutral PAHs |
Authors of publication | Karak, Pirudhan; Dutta, Champak; Dutta, Tanoy; Koner, Apurba Lal; Choudhury, Joyanta |
Journal of publication | Chemical Communications |
Year of publication | 2019 |
a | 15.961 ± 0.007 Å |
b | 9.628 ± 0.004 Å |
c | 24.03 ± 0.01 Å |
α | 90° |
β | 103.677 ± 0.009° |
γ | 90° |
Cell volume | 3588 ± 3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.3457 |
Residual factor for significantly intense reflections | 0.1452 |
Weighted residual factors for significantly intense reflections | 0.3339 |
Weighted residual factors for all reflections included in the refinement | 0.4242 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
215334 (current) | 2019-05-21 | cif/ Adding structures of 7123498, 7123499, 7123500, 7123501, 7123502 via cif-deposit CGI script. |
7123498.cif |
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