Information card for entry 1569856

Structure parameters

• Formula: C62 H88 N4 P2
• Calculated formula: C62 H88 N4 P2
• SMILES: P1(P(C=C2N(CCN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)CC(=C(C1)C)C)C=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.
• Authors of publication: Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 39
• Pages of publication: 10944 - 10952
• a: 12.9163 ± 0.0017 Å
• b: 14.6645 ± 0.001 Å
• c: 31.89 ± 0.003 Å
• α: 90°
• β: 100.295 ± 0.013°
• γ: 90°
• Cell volume: 5943.1 ± 1.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.087
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No