Information card for entry 7134724

Structure parameters

• Formula: C21 H27 Br O3
• Calculated formula: C21 H27 Br O3
• Title of publication: Asymmetric total syntheses of immunosuppressive diterpenoids triptobenzenes N and R <i>via</i> a remote Csp³-H functionalization.
• Authors of publication: Roy, Nanda Kishore; Murmu, Ranjit; Munda, Mintu; Niyogi, Sovan; Bisai, Alakesh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 59
• Pages of publication: 11053 - 11056
• a: 10.3749 ± 0.0002 Å
• b: 8.4178 ± 0.0001 Å
• c: 11.3443 ± 0.0002 Å
• α: 90°
• β: 100.01 ± 0.002°
• γ: 90°
• Cell volume: 975.66 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No