Information card for entry 1575336

Structure parameters

• Formula: C21 H18 N2 O4
• Calculated formula: C21 H18 N2 O4
• Title of publication: Investigation of N-(2-oxo-2H-chromen-3-carbonyl)cytisine's Crystal Structure and Optical Properties.
• Authors of publication: Kishkentayeva, Anarkul; Kopbalina, Kymbat; Shaimerdenova, Zhanar; Shults, Elvira; Gatilov, Yury; Pankin, Dmitrii; Smirnov, Mikhail; Povolotckaia, Anastasia; Turdybekov, Dastan; Mazhenov, Nurlan
• Journal of publication: Materials (Basel, Switzerland)
• Year of publication: 2025
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 3153
• a: 9.335 ± 0.0011 Å
• b: 7.6154 ± 0.0007 Å
• c: 12.7755 ± 0.0015 Å
• α: 90°
• β: 102.794 ± 0.004°
• γ: 90°
• Cell volume: 885.66 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No