Information card for entry 7239134

Structure parameters

• Formula: C31 H50 O4
• Calculated formula: C31 H50 O4
• Title of publication: Stereoselectivity of A-ring contraction for 3-oxotriterpenoids
• Authors of publication: Kacharov, Alexey D.; Yemets, Sergiy V.; Nemykin, Victor N.; Kacharova, Liliya M.; Fokin, Andrey A.; Krasutsky, Pavel A.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 41
• Pages of publication: 19057
• a: 7.487 ± 0.0015 Å
• b: 16.276 ± 0.003 Å
• c: 11.153 ± 0.002 Å
• α: 90°
• β: 90.01 ± 0.03°
• γ: 90°
• Cell volume: 1359.1 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections: 0.1995
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9688
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No