Information card for entry 7220759

Structure parameters

• Formula: C25 H17 Br Cl N2
• Calculated formula: C25 H17 Br Cl N2
• SMILES: Brc1ccc(/C(=C/C(c2c3c([nH]c2)cccc3)c2c3ccccc3[nH]c2)Cl)cc1
• Title of publication: An efficient solvent-free synthesis of bis(indolyl)methane-based naked eye chemosensor for Cu2+ ion from β-chloro-α,β-unsaturated aldehydes using PMA-Cellulose as solid phase reusable catalyst
• Authors of publication: Kundu, Arijit; Ganguly, Aniruddha; Dhara, Kaliprasanna; Patra, Prasanta; Guchhait, Nikhil
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.802 ± 0.003 Å
• b: 9.833 ± 0.003 Å
• c: 12.388 ± 0.004 Å
• α: 85.599 ± 0.015°
• β: 70.767 ± 0.013°
• γ: 67.602 ± 0.014°
• Cell volume: 1040.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No