Information card for entry 7250211

Structure parameters

• Common name: 7_Cyano_L_Trp
• Chemical name: 7_Cyano_L_Trp
• Formula: C12 H11 N3 O2
• Calculated formula: C12 H11 N3 O2
• Title of publication: Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals
• Authors of publication: Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 3095 - 3101
• a: 11.81 ± 0.12 Å
• b: 4.94 ± 0.08 Å
• c: 17.74 ± 0.13 Å
• α: 90°
• β: 95.86 ± 0.17°
• γ: 90°
• Cell volume: 1030 ± 2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.2544
• Residual factor for significantly intense reflections: 0.1854
• Weighted residual factors for significantly intense reflections: 0.4603
• Weighted residual factors for all reflections included in the refinement: 0.5176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: transmissionelectronmicroscope
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No