Table 3. Experimental details.

Crystal data
Chemical formula	C50H56N6O10·0.5H2O
M r	910.01
Crystal system, space group	Orthorhombic, P212121
Temperature (K)	100
a, b, c (Å)	9.9955 (5), 15.8364 (7), 31.1356 (14)
V (Å3)	4928.5 (4)
Z	4
Radiation type	Mo Kα
μ (mm−1)	0.09
Crystal size (mm)	0.28 × 0.2 × 0.15
Data collection
Diffractometer	Bruker D8 Quest CMOS
Absorption correction	Multi-scan (SADABS; Bruker, 2013 ▸)
T min, T max	0.695, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections	43863, 10447, 8909
R int	0.038
(sin θ/λ)max (Å−1)	0.634
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.048, 0.130, 1.06
No. of reflections	10447
No. of parameters	621
No. of restraints	39
H-atom treatment	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	1.05, −0.17

Computer programs: APEX2 and SAINT (Bruker, 2013 ▸), olex2.solve (Bourhis et al., 2015 ▸), SHELXL (Sheldrick, 2015 ▸) and OLEX2 (Dolomanov et al., 2009 ▸).