Information card for entry 8104683

Structure parameters

• Formula: C22 H24 N4
• Calculated formula: C22 H24 N4
• SMILES: [nH]1c(cc(nc2c([nH]c(cc(nc3c1cccc3)C)C)cccc2)C)C
• Title of publication: Redetermination of the crystal structure of (2E,4Z,13E,15Z)-3,5,14,16-tetramethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene, C22H24N4
• Authors of publication: Dey, Lucky; Rabi, Saswata; Begum, Zinnat A.; Takase, Tsugiko; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1121 - 1124
• a: 9.217 ± 0.004 Å
• b: 9.774 ± 0.004 Å
• c: 10.843 ± 0.004 Å
• α: 96.77 ± 0.002°
• β: 101.791 ± 0.005°
• γ: 105.873 ± 0.003°
• Cell volume: 903.9 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No