Information card for entry 7134538

Structure parameters

• Chemical name: Photon
• Formula: C21 H17 N5 O4 S
• Calculated formula: C21 H17 N5 O4 S
• Title of publication: Visible-light triggered Cu-catalyzed C–H bond activation to afford isocoumarin and isoquinolinone scaffolds at room temperature
• Authors of publication: Sau, Subham; Das, Krishna Mohan; Thakur, Arunabha
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 49
• Pages of publication: 8851 - 8854
• a: 7.5805 ± 0.0006 Å
• b: 8.7953 ± 0.0007 Å
• c: 15.9373 ± 0.0012 Å
• α: 94.493 ± 0.003°
• β: 102.417 ± 0.002°
• γ: 97.971 ± 0.003°
• Cell volume: 1021.26 ± 0.14 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.1775
• Residual factor for significantly intense reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.3678
• Weighted residual factors for all reflections included in the refinement: 0.4441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.573
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No