Information card for entry 8107529

Structure parameters

• Formula: C32 H28 N4
• Calculated formula: C32 H28 N4
• Title of publication: Redetermination of the crystal structure of 5,14-dihydro-6,17-dimethyl-8,15-diphenyldibenzo(b,i)(1,4,8,11)tetra-azacyclotetradecine, C32H28N4
• Authors of publication: Dey, Lucky; Rabi, Saswata; Palit, Debashis; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 679 - 682
• a: 17.7218 ± 0.0004 Å
• b: 20.7769 ± 0.0005 Å
• c: 14.9434 ± 0.0003 Å
• α: 90°
• β: 113.598 ± 0.003°
• γ: 90°
• Cell volume: 5042.1 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No