Information card for entry 4080363

Structure parameters

• Formula: C78 H105 N2 O4 P2 Y
• Calculated formula: C66 H81 N2 O4 P2 Y
• SMILES: [Y]123(Oc4c(P(=[N]2c2c([N]3=P(c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1)cc(cc4C(C)(C)C)C(C)(C)C)(OC(C)(C)C)[O]1CCCC1
• Title of publication: Yttrium Phosphasalen Initiators forrac-Lactide Polymerization
• Authors of publication: Bakewell, Clare; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Long, Nicholas J.; Auffrant, Audrey; Williams, Charlotte K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1475
• a: 35.816 ± 0.001 Å
• b: 19.399 ± 0.001 Å
• c: 25.18 ± 0.001 Å
• α: 90°
• β: 123.852 ± 0.001°
• γ: 90°
• Cell volume: 14529.2 ± 1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No