Information card for entry 4129017

Structure parameters

• Formula: C17 H23 Br N O7.5
• Calculated formula: C17 H23 Br N O7.5
• Title of publication: Mechanically Triggered Small Molecule Release from a Masked Furfuryl Carbonate.
• Authors of publication: Hu, Xiaoran; Zeng, Tian; Husic, Corey C.; Robb, Maxwell J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 38
• Pages of publication: 15018 - 15023
• a: 12.858 ± 0.002 Å
• b: 10.2977 ± 0.0015 Å
• c: 29 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3839.8 ± 1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No