Information card for entry 7131216

Structure parameters

• Formula: C55 H69 K N2
• Calculated formula: C55 H69 K N2
• SMILES: [K]1(n2c(ccc2C(=c2ccc([n]12)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(C)cc(cc1C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C).c1(ccccc1)C
• Title of publication: Crystalline heaviest pnictogen-dipyrromethenes: isolation, characterization, and reactivity.
• Authors of publication: Liu, Chen; Dai, Yuyang; Han, Qiqi; Liu, Chunmeng; Su, Yuanting
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 15
• Pages of publication: 2161 - 2164
• a: 14.0581 ± 0.0015 Å
• b: 19.545 ± 0.002 Å
• c: 18.7522 ± 0.0017 Å
• α: 90°
• β: 104.975 ± 0.005°
• γ: 90°
• Cell volume: 4977.5 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.1528
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No