Crystallography Open Database

Information card for entry 7133034

Preview

Coordinates	7133034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H68 O8
Calculated formula	C42 H68 O8
Title of publication	9-Step Synthesis of (−)-Larikaempferic Acid Methyl Ester Enabled by Skeletal Rearrangement
Authors of publication	Rivera, Mario E.; Li, Lei; Kolisetti, Aditya; Chi, Nina; Dai, Mingji
Journal of publication	Chemical Communications
Year of publication	2024
a	6.1621 ± 0.0004 Å
b	11.6465 ± 0.0006 Å
c	13.7206 ± 0.0009 Å
α	90°
β	102.517 ± 0.006°
γ	90°
Cell volume	961.28 ± 0.1 Å³
Cell temperature	105 ± 8 K
Ambient diffraction temperature	105 ± 8 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.0552
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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