Information card for entry 7131482

Structure parameters

• Formula: C30 H34 N5 O2
• Calculated formula: C30 H34 N5 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: 9.4016 ± 0.0011 Å
• b: 9.7932 ± 0.0008 Å
• c: 14.9499 ± 0.0017 Å
• α: 100.871 ± 0.003°
• β: 101.457 ± 0.003°
• γ: 92.165 ± 0.003°
• Cell volume: 1320.8 ± 0.2 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: 0.1028
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No