Information card for entry 7061163

Structure parameters

• Chemical name: (S)-(2-(2-(methoxymethyl)pyrrolidin-1-yl)-2H-inden-2-yl)lithium
• Formula: C15 H18 Li N O
• Calculated formula: C15 H18 Li N O
• Title of publication: Novel approach for the synthesis of chiral organometallic complexes – first series of lithium 2-amino-indenide ligands bearing pendant donor groups and a unique helical bent-zirconocene
• Authors of publication: Rufanov, Konstantin A.; Titov, Ilya Yu.; Lemenovskii, Dmitry A.; Krut’ko, Dmitry P.; Churakov, Andrei V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 1409 - 1415
• a: 7.6958 ± 0.0002 Å
• b: 8.1833 ± 0.0002 Å
• c: 20.4464 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1287.65 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No