Crystallography Open Database

Information card for entry 7157793

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Coordinates	7157793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H92 O26
Calculated formula	C70 H92 O26
Title of publication	Carapanins A‒C: new limonoids from andiroba (Carapa guianensis) fruit oil
Authors of publication	Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2020
Journal volume	18
Journal issue	45
Pages of publication	9268 - 9274
a	11.0913 ± 0.0001 Å
b	11.0913 ± 0.0001 Å
c	92.9928 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	9907.06 ± 0.14 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0948
Weighted residual factors for significantly intense reflections	0.2282
Weighted residual factors for all reflections included in the refinement	0.2284
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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