Information card for entry 7236215

Structure parameters

• Formula: C22 H15 N O2
• Calculated formula: C22 H15 N O2
• Title of publication: Highly stable naphthalene core based novel cleft-shaped strain molecule: influence of intermolecular H-bonding architectures
• Authors of publication: Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 64
• Pages of publication: 59574
• a: 9.795 ± 0.005 Å
• b: 22.599 ± 0.005 Å
• c: 7.252 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.001 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1550.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0654
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1123
• 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