Information card for entry 4518135

Structure parameters

• Formula: C36 H28 N2 O2
• Calculated formula: C36 H28 N2 O2
• Title of publication: Structural and Theoretical Investigations, Hirshfeld Surface Analyses, and Cytotoxicity of a Naphthalene-Based Chiral Compound.
• Authors of publication: Al-Resayes, Saud I; Azam, Mohammad; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Soliman, Saied M.; Mohapatra, Ranjan K.; Khan, Zahid
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 42
• Pages of publication: 27227 - 27234
• a: 20.829 ± 0.0005 Å
• b: 6.8342 ± 0.0002 Å
• c: 10.208 ± 0.0003 Å
• α: 90°
• β: 112.556 ± 0.002°
• γ: 90°
• Cell volume: 1341.95 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No