Information card for entry 1575617

Structure parameters

• Formula: C17 H19 Br O3
• Calculated formula: C17 H19 Br O3
• Title of publication: Remodelling of tricyclic carbon frameworks with a norbornene scaffold.
• Authors of publication: Yoshitani, Akihiro; Sasage, Tomonari; Kato, Ranmaru; Suzuki, Takahiro; Ikeuchi, Kazutada; Tanino, Keiji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 84
• Pages of publication: 16372 - 16375
• a: 9.8852 ± 0.0003 Å
• b: 12.712 ± 0.0004 Å
• c: 12.5984 ± 0.0003 Å
• α: 90°
• β: 99.531 ± 0.003°
• γ: 90°
• Cell volume: 1561.27 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0771
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2192
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No