Information card for entry 4061172

Structure parameters

• Formula: C42 H34 Cr O3 P2
• Calculated formula: C42 H34 Cr O3 P2
• SMILES: [Cr]12345(C#[O])(C#[O])(C#[O])[c]6([c]71[c]2([cH]3[cH]4[cH]56)CC[C@@H]7P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Conformationally Constrained Diphosphines Derived from (η6-(S)-1-(dimethylamino)indane)Cr(CO)3: Synthesis and Application in Enantioselective Hydrogenation
• Authors of publication: Englert, Ulli; Hu, Chunhua; Salzer, Albrecht; Alberico, Elisabetta
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 5419 - 5431
• a: 10.7821 ± 0.0017 Å
• b: 13.22 ± 0.007 Å
• c: 12.5118 ± 0.0018 Å
• α: 90°
• β: 100.691 ± 0.012°
• γ: 90°
• Cell volume: 1752.4 ± 1 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No