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. 2019 Sep 3;75(Pt 10):1399–1402. doi: 10.1107/S2056989019011964

Table 2. Experimental details.

Crystal data
Chemical formula C30H29NO
M r 419.54
Crystal system, space group Orthorhombic, P212121
Temperature (K) 293
a, b, c (Å) 7.3009 (8), 11.0552 (11), 30.006 (3)
V3) 2421.8 (4)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.07
Crystal size (mm) 0.59 × 0.45 × 0.35
 
Data collection
Diffractometer Nonius KappaCCD area detector
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2019)
T min, T max 0.844, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 21751, 4427, 3948
R int 0.027
(sin θ/λ)max−1) 0.602
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.038, 0.083, 1.07
No. of reflections 4425
No. of parameters 295
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.11, −0.11
Absolute structure Refined as an inversion twin.

Computer programs: DENZO (Otwinowski & Minor, 1997); COLLECT (Hooft, 1998), CrysAlis PRO (Rigaku OD, 2019), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ).