Information card for entry 7251040

Structure parameters

• Chemical name: RN_BP_SC186
• Formula: C17 H12 Cl N O2
• Calculated formula: C17 H12 Cl N O2
• Title of publication: Metal-free access to 4-indolyl coumarin from coumarin 3-carboxylic acid and indole <i>via</i> a Michael addition-decarboxylation and dehydrogenation protocol: a photo-physical study and utility as an invisible ink.
• Authors of publication: Chakraborty, Sourav; Bhattachrjyya, Arghyadeep; Paul, Bhaswati; Das, Barnali; Natarajan, Ramalingam; Majumdar, Swapan
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 37888 - 37898
• a: 5.5582 ± 0.0004 Å
• b: 16.5166 ± 0.0012 Å
• c: 14.6656 ± 0.0011 Å
• α: 90°
• β: 90.907 ± 0.002°
• γ: 90°
• Cell volume: 1346.17 ± 0.17 ų
• Cell temperature: 117 K
• Ambient diffraction temperature: 117 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No