Information card for entry 4021025

Structure parameters

• Formula: C64 H78 N2 O6 P2
• Calculated formula: C60 H72 O6 P2
• SMILES: p1(Oc2ccccc2c2ccccc2Op2oc3c(cc(c(c3c3c(c(cc(c3o2)C(C)(C)C)C)C)C)C)C(C)(C)C)oc2c(c3c(o1)c(cc(c3C)C)C(C)(C)C)c(c(cc2C(C)(C)C)C)C
• Title of publication: Synthesis and Application of a New Bisphosphite Ligand Collection for Asymmetric Hydroformylation of Allyl Cyanide
• Authors of publication: Christopher J. Cobley; Kelli Gardner; Jerzy Klosin; Céline Praquin; Catherine Hill; Gregory T. Whiteker; Antonio Zanotti-Gerosa; Jeffrey L. Petersen; Khalil A. Abboud
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4031 - 4040
• a: 15.729 ± 0.002 Å
• b: 9.8732 ± 0.0014 Å
• c: 19.745 ± 0.003 Å
• α: 90°
• β: 101.117 ± 0.002°
• γ: 90°
• Cell volume: 3008.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Duplicate of: 4021023
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No