Parameter

Crystal I

Chemical formula

C₂₅H₂₀N₄O₅

Formula weight

456.45

Crystal system

Monoclinic

Space group

P2₁/C

a (A˚)

9.6590 (19)

b (A˚)

11.329 (2)

c (A˚)

20.046 (4)

α (˚)

90

β (˚)

90.30 (3)

γ (˚)

90

V (A˚³)

2193.54

Formula units (Z)

4

μ (Mo Ka) (mm⁻¹)

0.099

T (K)

293 (2)

Reflections

4284

Parameters

308

Completeness (%)

99.8

R-Factor(%)

6.48

R indexes (on F² ＞ 2 σ(F²))

R1 = 0.0648; wR² = 0.1460

R(all data)

R1 = 0.1423; wR² = 0.1817

Goodness-of fit(S)

1.005

θ min.; max

2.03;25.38

Δρ min.; max. (e A˚⁻³)

−0.204;0.179