Crystallography Open Database

Information card for entry 2023202

2023201 << 2023202 >> 2023203

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Coordinates	2023202.cif
Original IUCr paper	HTML

Structure parameters

Common name	Staudtienic acid
Chemical name	(1<i>S</i>,4a<i>S</i>,10a<i>R</i>)-1,4a-Dimethyl-7-(prop-2-en-1-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Formula	C20 H26 O2
Calculated formula	C20 H26 O2
Title of publication	Crystal structure of Staudtienic acid, a diterpenoid from Staudtia kamerunensis Warb. (Myristicaceae)
Authors of publication	Tonga Lembe, Jordan; Mphahlele, Precious Mokgadi; Kamdem Kengne, Michael Hermann; Jiyane, Pangaman; Djuidje Fotsing, Marthe Carine; Ardene, Charmaine; Mmutlane, Edwin Mpho; Ndinteh, Derek Tantoh
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	8
a	18.396 ± 0.003 Å
b	20.248 ± 0.004 Å
c	8.9338 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3327.7 ± 1 Å³
Cell temperature	99.98 K
Ambient diffraction temperature	99.98 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1048
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293487 (current)	2024-07-20	cif/ Adding structures of 2023202 via cif-deposit CGI script.	2023202.cif