Information card for entry 2000052

Structure parameters

• Formula: C30 H32 N2 O P2
• Calculated formula: C30 H32 N2 O P2
• SMILES: COC[C@@H]1CCCN1N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of (S)-1-[bis(diphenylphosphino)amino]-2-(methoxymethyl) pyrrolidine, C~30~H~32~N~2~OP~2~
• Authors of publication: Robert, Frédéric; Gimbert, Yves; Averbuch, Marie-Thérèse; Durif, André; Greene, Andrew
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 581 - 582
• a: 9.405 ± 0.003 Å
• b: 14.531 ± 0.003 Å
• c: 10.578 ± 0.004 Å
• α: 90°
• β: 110.24 ± 0.03°
• γ: 90°
• Cell volume: 1356.4 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0287
• Duplicate of: 8101595
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No