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4.5 Seclected Crystallographic Data for Biphenylbisphosphines
(M)-43 (M)-44 (M)-45
Empirical formula C40H36O2P2 C40H36O4P2 C40H36O2P2
Crystal system Monoclinic Triclinic Orthorhombic
Space group P2(1)/n P1 Fdd2
Unit Cell dimension
a = 12.7416(17) Å,
α = 90°
b = 16.912(3) Å,
β = 96.113(11)°
c = 15.819(2) Å,
γ = 90°
Volume 3389.2(8) Å 3
Distances (Å)
a = 9.5032(10) Å,
α = 106.628(10)°
b = 13.4628(16) Å,
β = 95.321(8)°
c = 14.3427(15) Å,
γ = 93.138(9)°
a = 25.295(3) Å,
α= 90°
b = 28.389(3) Å,
β= 90°
c = 9.0567(9) Å,
γ = 90°
1744.3(3) Å 3 6503.8(12) Å 3
P(1)-C(1) 1.847(2) 1.844(4) 1.841(5)
P(2)-C(8) 1.848(2) 1.840(4) -
O(1)-C(5) 1.368(3) 1.378(4) -
O(2)-C(12) 1.368(3) - -
O(3)-C(12) - 1.389(4) -
C(6)-C(7) 1.497(3) 1.497(5) 1.513(5)
Angles (°)
C(2)-C(1)-P(1) 123.49(16) 124.8(3) 122.4(4)
C(6)-C(1)-P(1) 117.29(15) 116.5(3) 118.0(3)
C(9)-C(8)-P(2) 123.59(16) 124.2(3) -
C(7)-C(8)-P(2) 116.79(15) 116.4(3) -
O(1)-C(5)-C(4) 123.8(2) 124.2(4) -
O(1)-C(5)-C(6) 115.46(18) 114.9(4) -
O(2)-C(12)-C(11) 124.1(2) - -
O(3)-C(12)-C(11) - 123.5(4) -
O(2)-C(12)-C(7) 115.27(18) -
O(3)-C(12)-C(7) - 115.2(4) -
C(5)-C(6)-C(7) 119.25(18) 121.2(4)
C(5)-C(6)-C(6A) - - 119.8(4)
C(1)-C(6)-C(7) 121.24(19) 119.4(4) -
C(1)-C(6)-C(6A) - - 119.6(4)
C(12)-C(7)-C(6) 119.79(18) 118.8(4) -
C(8)-C(7)-C(6) 120.92(19) 121.1(4) -
C(1)-C(6)-C(7)-C(8) -73.9(3) -84.4(5) -
C(1A)-C(6A)-C(6)-C(1) - - -88.3(4)