Information card for entry 4030002

Structure parameters

• Formula: C52 H47 N4 O8 S2
• Calculated formula: C52 H47 N4 O8 S2
• Title of publication: From Triazoles to Imidazolines through the Sequential N-H Insertion of α-Imino Rhodium-Carbenes into β-Enamino Esters/Enamine-Imine Tautomerization/Conjugate Addition Cascade.
• Authors of publication: Jeon, Hyun Ji; Jung, Da Jung; Kim, Ju Hyun; Kim, Youngmee; Bouffard, Jean; Lee, Sang-Gi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 20
• Pages of publication: 9865 - 9871
• a: 13.884 ± 0.003 Å
• b: 14.04 ± 0.003 Å
• c: 14.355 ± 0.003 Å
• α: 118.32 ± 0.03°
• β: 92.91 ± 0.03°
• γ: 103.95 ± 0.03°
• Cell volume: 2345.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2024
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No