Information card for entry 7135117

Structure parameters

• Formula: C31 H29 I O3
• Calculated formula: C31 H29 I O3
• Title of publication: CuH-catalyzed stereoselective desymmetrization of prochiral cyclopentane-1,3-diones <i>via</i> alkoxyallylation.
• Authors of publication: Maurya, Sundaram; Patil, Vaibhav B.; Raghu Ramudu, G.; Amrutkar, Virendra S.; Mendapara, Yash G.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 96
• Pages of publication: 19108 - 19111
• a: 20.985 ± 0.0003 Å
• b: 10.746 ± 0.0002 Å
• c: 12.2193 ± 0.0002 Å
• α: 90°
• β: 102.749 ± 0.0008°
• γ: 90°
• Cell volume: 2687.57 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No