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Information card for entry 7131484
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7131484.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H25 N5 O |
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Calculated formula | C27 H25 N5 O |
SMILES | n1n(c(c[n+]1c1c(cc(cc1C)C)C)C1(N=NC(=C1[O-])c1ccccc1)c1ccccc1)C |
Title of publication | [4+1] cyclization of α-diazo esters and mesoionic N-heterocyclic olefins. |
Authors of publication | Liang, Qiuming; Zeng, Yimin; Mendez Ocampo, Pedro A.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Song, Datong |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 32 |
Pages of publication | 4770 - 4773 |
a | 26.084 ± 0.007 Å |
b | 17.067 ± 0.005 Å |
c | 11.802 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5254 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.104 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for significantly intense reflections | 0.1619 |
Weighted residual factors for all reflections included in the refinement | 0.1826 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/7131484.html
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structural data.