Information card for entry 4020717

Structure parameters

• Formula: C24 H23 Cl O4
• Calculated formula: C24 H23 Cl O4
• SMILES: Clc1ccc(C(=O)O[C@@]([C@@H](C(=O)OCC)C)(C)c2ccc3ccccc3c2)cc1.Clc1ccc(C(=O)O[C@]([C@H](C(=O)OCC)C)(C)c2ccc3ccccc3c2)cc1
• Title of publication: In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters
• Authors of publication: Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10408 - 10419
• a: 9.4195 ± 0.0003 Å
• b: 21.7175 ± 0.0006 Å
• c: 10.4372 ± 0.0003 Å
• α: 90°
• β: 90.8136 ± 0.0007°
• γ: 90°
• Cell volume: 2134.9 ± 0.1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• 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