Information card for entry 4020839

Structure parameters

• Formula: C38 H44 B N7 O8 Re
• Calculated formula: C38 H47 B N7 O8 Re
• SMILES: [Re]123([n]4[n](ccc4)[BH]([n]4[n]1ccc4)[n]1[n]2ccc1)([n]1ccccc1)([CH]1=[CH]3[C@@H](c2ccccc2[C@@H]1COC)C(C(=O)OC)C(=O)OC)C#[O].O=C(C)C.O=C(C)C.[Re]123([n]4[n](ccc4)[BH]([n]4[n]1ccc4)[n]1[n]2ccc1)([n]1ccccc1)([CH]1=[CH]3[C@H](c2ccccc2[C@H]1COC)C(C(=O)OC)C(=O)OC)C#[O].O=C(C)C.O=C(C)C
• Title of publication: Diastereo- and Enantioselective Dearomatization of Rhenium-Bound Naphthalenes
• Authors of publication: Fei Ding; Mark T. Valahovic; Joseph M. Keane; Mitchell R. Anstey; Michal Sabat; Carl O. Trindle; W. Dean Harman
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 2257 - 2267
• a: 9.6577 ± 0.0007 Å
• b: 14.0528 ± 0.001 Å
• c: 15.9393 ± 0.0011 Å
• α: 96.439 ± 0.001°
• β: 103.19 ± 0.001°
• γ: 108.563 ± 0.001°
• Cell volume: 1956.2 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No