Information card for entry 7239170

Structure parameters

• Formula: C40 H57 Br N4 O8
• Calculated formula: C40 H57 Br N4 O8
• Title of publication: Mild rhodium(i) catalyzed ring opening of cyclopropane appended spirotricyclic olefins through C‒H activation of arylboronic acids
• Authors of publication: Prakash, Praveen; Jijy, E.; Shimi, M.; Aparna, P. S.; Suresh, E.; Radhakrishnan, K. V.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 43
• Pages of publication: 19933
• a: 25.61 ± 0.003 Å
• b: 16.1687 ± 0.0017 Å
• c: 22.954 ± 0.002 Å
• α: 90°
• β: 111.185 ± 0.002°
• γ: 90°
• Cell volume: 8862.5 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No