Information card for entry 4020976

Structure parameters

• Formula: C20 H21 N O5
• Calculated formula: C20 H21 N O5
• SMILES: O1[C@@]2([C@@H]3C(=O)N(C(=O)[C@@H]3[C@H]1[C@@H]1c3ccccc3[C@H]([C@H]21)CC(=O)OC)C)C.O1[C@]2([C@H]3C(=O)N(C(=O)[C@H]3[C@@H]1[C@H]1c3ccccc3[C@@H]([C@@H]21)CC(=O)OC)C)C
• Title of publication: Addition of Bifunctional Organoboron Reagents to Strained Alkenes. Carbon-Carbon Bond Formation with Rh(I) Catalysis in Aqueous Media
• Authors of publication: Mark Lautens; John Mancuso
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3478 - 3487
• a: 15.6601 ± 0.0005 Å
• b: 8.8459 ± 0.0004 Å
• c: 12.8348 ± 0.0006 Å
• α: 90°
• β: 102.059 ± 0.002°
• γ: 90°
• Cell volume: 1738.74 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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