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Information card for entry 1540559
Preview
Coordinates | 1540559.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H13 N |
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Calculated formula | C15 H13 N |
SMILES | [nH]1c2c(c3ccccc3)cccc2cc1C |
Title of publication | Pyridazine N-Oxides as Precursors of Metallocarbenes: Rhodium-Catalyzed Transannulation with Pyrroles. |
Authors of publication | Kanchupalli, Vinaykumar; Joseph, Desna; Katukojvala, Sreenivas |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 23 |
Pages of publication | 5878 - 5881 |
a | 6.8195 ± 0.0012 Å |
b | 8.3525 ± 0.0014 Å |
c | 20.053 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1142.2 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0858 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.1181 |
Weighted residual factors for all reflections included in the refinement | 0.1538 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
170832 (current) | 2015-12-06 | cif/ Updating files of 1540559 Original log message: Adding full bibliography for 1540559.cif. |
1540559.cif |
170448 | 2015-11-22 | cif/ Adding structures of 1540559 via cif-deposit CGI script. |
1540559.cif |
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