Information card for entry 4518104

Structure parameters

• Formula: C25 H33 N3 O5
• Calculated formula: C25 H33 N3 O5
• Title of publication: Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.
• Authors of publication: Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 40
• Pages of publication: 26141 - 26152
• a: 13.8479 ± 0.0006 Å
• b: 13.8479 ± 0.0006 Å
• c: 22.9802 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3816.4 ± 0.3 ų
• Cell temperature: 112.1 ± 0.4 K
• Ambient diffraction temperature: 112.1 ± 0.4 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.2865
• Weighted residual factors for all reflections included in the refinement: 0.3197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No