Information card for entry 7131481

Structure parameters

• Formula: C24 H18 F N5 O
• Calculated formula: C24 H18 F N5 O
• 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: 8.4361 ± 0.0005 Å
• b: 10.9609 ± 0.0006 Å
• c: 21.3387 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1973.13 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0835
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No