Information card for entry 7241639

Structure parameters

• Formula: C15 H20 N2 O4
• Calculated formula: C15 H20 N2 O4
• Title of publication: N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides
• Authors of publication: Palai, Bibhuti Bhusana; Sharma, Nagendra K.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 131 - 139
• a: 7.8029 ± 0.0005 Å
• b: 10.6573 ± 0.0005 Å
• c: 10.8703 ± 0.0005 Å
• α: 115.74 ± 0.004°
• β: 99.231 ± 0.003°
• γ: 103.722 ± 0.004°
• Cell volume: 754.32 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No