Information card for entry 7064455

Structure parameters

• Chemical name: E24-LT
• Formula: C14 H9 N3 O2
• Calculated formula: C14 H9 N3 O2
• Title of publication: Mechanical Behaviour Modulation through Substituent Reversal in Schiff Base Molecular Crystals
• Authors of publication: Dogra, Sunanda; Harsha, Priyasha; Roy Choudhury, Angshuman
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 7.3161 ± 0.0004 Å
• b: 8.5269 ± 0.0005 Å
• c: 10.0286 ± 0.0006 Å
• α: 84.812 ± 0.005°
• β: 77.336 ± 0.005°
• γ: 78.531 ± 0.004°
• Cell volume: 597.49 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No