Information card for entry 7134697

Structure parameters

• Formula: C18 H15 N3 O4
• Calculated formula: C18 H15 N3 O4
• Title of publication: Alkyne hydrazones for Raman scattering spectroscopy
• Authors of publication: Sosnin, Daniil; Aprahamian, Ivan
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 55
• Pages of publication: 10119 - 10121
• a: 19.7442 ± 0.0003 Å
• b: 6.9809 ± 0.0001 Å
• c: 11.8207 ± 0.0002 Å
• α: 90°
• β: 93.323 ± 0.001°
• γ: 90°
• Cell volume: 1626.53 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No