Information card for entry 7239791

Structure parameters

• Formula: C33 H54 F6 N16 O11
• Calculated formula: C33 H54 F6 N16 O11
• Title of publication: Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones
• Authors of publication: Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 3217 - 3220
• a: 8.3279 ± 0.0004 Å
• b: 15.8912 ± 0.0009 Å
• c: 16.9567 ± 0.0009 Å
• α: 98.047 ± 0.002°
• β: 96.401 ± 0.002°
• γ: 98.061 ± 0.002°
• Cell volume: 2180.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.05 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: 0.093
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2209
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No