Information card for entry 7240964

Structure parameters

• Formula: C20 H18 N2 O3 S
• Calculated formula: C20 H18 N2 O3 S
• SMILES: s1c2cc(OC)ccc2n2c1nc(c2CC(=O)OCC)c1ccccc1
• Title of publication: Visible light-induced photocatalytic C‒H ethoxycarbonylmethylation of imidazoheterocycles with ethyl diazoacetate
• Authors of publication: Bhattacharjee, Suvam; Laru, Sudip; Samanta, Sadhanendu; Singsardar, Mukta; Hajra, Alakananda
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 47
• Pages of publication: 27984 - 27988
• a: 7.0148 ± 0.0014 Å
• b: 17.582 ± 0.004 Å
• c: 14.402 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1776.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No