Information card for entry 7131486

Structure parameters

• Formula: C55 H58 N4 O2
• Calculated formula: C55 H58 N4 O2
• 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: 17.399 ± 0.007 Å
• b: 18.549 ± 0.007 Å
• c: 20.435 ± 0.007 Å
• α: 87.92 ± 0.011°
• β: 76.584 ± 0.011°
• γ: 68.008 ± 0.01°
• Cell volume: 5939 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No