Crystallography Open Database

Information card for entry 2006235

2006234 << 2006235 >> 2006236

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Coordinates	2006235.cif
Original IUCr paper	HTML

Structure parameters

Formula	C30 H46 O11
Calculated formula	C31 H50 O11
Title of publication	A Clerodane Diterpene with Antibacterial Activity from <i>Ajuga lupulina</i>
Authors of publication	Chen, Hao; Tan, Ren-Xiang; Liu, Zhi-Li; Zhao, Cong-Yuan; Sun, Jie
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	6
Pages of publication	814 - 816
a	10.75 ± 0.002 Å
b	26.735 ± 0.006 Å
c	10.533 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3027.2 ± 0.9 Å³
Cell temperature	293 K
Ambient diffraction temperature	20 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for all reflections	0.137
Weighted residual factors for significantly intense reflections	0.0614
Goodness-of-fit parameter for significantly intense reflections	2.38
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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