Table 1 Crystal data and structure refinement for compounds 15 and 18

CCDC Number

838051

838052

Empirical formula

C₁₀H₁₄O₅

C₁₆H₁₉CoO₄

Formula weight

214.21

334.24

Crystal system

Orthorhombic

Orthorhombic

Space group

P2₁2₁2₁

P2₁2₁2₁

a/Å

8.1060(1)

7.3050(1)

b/Å

10.241(3)

8.6650(1)

c/Å

12.952(4)

23.568(3)

α/°

90

90

β/°

90

90

γ/°

90

90

U/ų

1075.19(5)

1491.80(3)

Z

4

4

D _c /gcm^-3

1.323

1.488

μ/mm^-1

0.106

1.163

F(000)

456

696

Crystal size/mm

0.20 × 0.15 × 0.10

0.24 × 0.20 × 0.12

Theta min., max for data collection

3.98, 30.51

7.88, 30.53

Index ranges

-9 ≤ h ≤ 11;

-14 ≤ k ≤ 14;

-18 ≤ l ≤ 18

-10 ≤ h ≤ 10;

-12 ≤ k ≤ 12;

-31 ≤ l ≤ 33

Reflections collected

19801

27485

Independent reflections, R_int

3116, 0.0380

4488, 0.0474

Completeness

θ = 30.51°, 96.4%

θ = 30.53°, 97.5%

Max., min. transmission

0.9894, 0.9790

0.8731, 0.7678

Data/restraints/parameters

3116/0/151

4488/0/267

Goodness-of-fit on F²

1.031

1.203

Final R₁, wR₂ [I > 2σ(I)]

0.0322, 0.0712

0.0299, 0.0654

Final R₁, wR₂ (all data)

0.0419, 0.0754

0.0333, 0.0663

Absolute structure parameter [50]

0.1(7)

-0.007(12)

Largest diff. peak, hole/eÅ^-3

0.185, -0.172

0.353, -0.268