Information card for entry 4062224

Structure parameters

• Formula: C43 H62 N3 O Sc
• Calculated formula: C43 H62 N3 O Sc
• SMILES: [Sc]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)OC=C
• Title of publication: Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex
• Authors of publication: Basuli, Falguni; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 23
• Pages of publication: 4705 - 4714
• a: 40.771 ± 0.005 Å
• b: 9.7758 ± 0.0015 Å
• c: 20.661 ± 0.004 Å
• α: 90°
• β: 101.259 ± 0.008°
• γ: 90°
• Cell volume: 8077 ± 2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No