Information card for entry 7131483

Structure parameters

• Formula: C37 H46 N4 O2
• Calculated formula: C37 H46 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: 10.384 ± 0.008 Å
• b: 10.769 ± 0.008 Å
• c: 16.438 ± 0.012 Å
• α: 72.09 ± 0.03°
• β: 75.72 ± 0.03°
• γ: 82.68 ± 0.02°
• Cell volume: 1692 ± 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: 0.2259
• Residual factor for significantly intense reflections: 0.1143
• Weighted residual factors for significantly intense reflections: 0.2631
• Weighted residual factors for all reflections included in the refinement: 0.3231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No