Information card for entry 7161096

Structure parameters

• Formula: C25 H24 N2 O2
• Calculated formula: C25 H24 N2 O2
• Title of publication: Potassium Hydrogen Sulfate Promoted One-pot Synthesis of Bis(indolyl)alkane Esters from α-Keto Carboxylic Acids: In Silico and In Vitro Anticancer Studies
• Authors of publication: Ballanki, Trinadh; Subramanian, Anjali Devi; Chinnappa, Pravin; Suresh Kumar, Vaishnu; Garg, Mohit; Jebiti, Haribabu; Moraga, Daniel; Viswambharan, Baby
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 10.933 ± 0.002 Å
• b: 12.5 ± 0.002 Å
• c: 15.856 ± 0.003 Å
• α: 90°
• β: 109.097 ± 0.006°
• γ: 90°
• Cell volume: 2047.7 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• 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: 0.0757
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No