Information card for entry 7063698

Structure parameters

• Formula: C18 H16 Cl N O3
• Calculated formula: C18 H16 Cl N O3
• Title of publication: Elucidating the plant growth potential of triazole conjoined silatrane on Cajanus cajan and its in silico approach
• Authors of publication: Singh, Gurjaspreet; Sharma, Devina; Sharma, Samiksha; Stanzin, Jigmat; Kaur, Harshbir; Dalal, Anurag; Vikas,; Batish, Daizy Rani; Pal, Amrit; Alpaslan, Medine Karadağ
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 5871 - 5882
• a: 12.683 ± 0.0005 Å
• b: 7.2768 ± 0.0003 Å
• c: 35.8591 ± 0.0013 Å
• α: 90°
• β: 90.636 ± 0.003°
• γ: 90°
• Cell volume: 3309.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No