Information card for entry 7227442

Structure parameters

• Formula: C25 H18 B F9 N2
• Calculated formula: C25 H18 B F9 N2
• SMILES: [B](c1c(cccc1)C(F)(F)F)(c1c(cccc1)C(F)(F)F)(c1c(cccc1)C(F)(F)F)[N]#CC.N#CC
• Title of publication: Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)
• Authors of publication: Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 4510
• a: 9.3027 ± 0.0005 Å
• b: 18.1466 ± 0.001 Å
• c: 14.1566 ± 0.0008 Å
• α: 90°
• β: 94.8366 ± 0.001°
• γ: 90°
• Cell volume: 2381.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No