Information card for entry 7713001

Structure parameters

• Formula: C21 H30 O
• Calculated formula: C21 H30 O
• SMILES: OC(c1ccccc1)(C12CC3CC(C1)CC(C2)C3)C(C)(C)C
• Title of publication: Simple magnesium alkoxides: synthesis, molecular structure, and catalytic behaviour in the ring-opening polymerization of lactide and macrolactones and for copolymerization of maleic anhydride and propylene oxide
• Authors of publication: Wannipurage, Duleeka; D'Aniello, Sara; Pappalardo, Daniela; Kulathungage, Lakshani Wathsala; Ward, Cassandra L.; Anderson, Danni P.; Groysman, Stanislav; Mazzeo, Mina
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.3463 ± 0.0005 Å
• b: 13.8584 ± 0.0007 Å
• c: 12.5331 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1623.35 ± 0.14 ų
• Cell temperature: 100.1 K
• Ambient diffraction temperature: 100.1 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No