Information card for entry 7003468

Structure parameters

• Formula: C15 H13 Cl2 N O
• Calculated formula: C15 H13 Cl2 N O
• SMILES: Clc1cc(Cl)cc(c1O)/C=N/[C@@H](c1ccccc1)C
• Title of publication: Robust chiral zirconium alkoxide initiators for the room-temperature stereoselective ring-opening polymerisation of rac-lactide
• Authors of publication: Chmura, Amanda J.; Cousins, David M.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1437 - 1443
• a: 21.254 ± 0.0002 Å
• b: 9.082 ± 0.0001 Å
• c: 15.64 ± 0.0002 Å
• α: 90°
• β: 113.291 ± 0.001°
• γ: 90°
• Cell volume: 2772.95 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No