Crystallography Open Database

Information card for entry 1520572

1520571 << 1520572 >> 1520573

Preview

Coordinates	1520572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H56 O19
Calculated formula	C43 H56 O19
Title of publication	Neolignans with a Rare 2-Oxaspiro[4.5]deca-6,9-dien-8-one Motif from the Stem Bark of Cinnamomum subavenium.
Authors of publication	Lai, Yongji; Liu, Tingting; Sa, Rongjian; Wei, Xialan; Xue, Yongbo; Wu, Zhaodi; Luo, Zengwei; Xiang, Ming; Zhang, Yonghui; Yao, Guangmin
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	7
Pages of publication	1740 - 1744
a	8.6734 ± 0.0006 Å
b	11.1397 ± 0.0007 Å
c	11.8133 ± 0.0008 Å
α	92.575 ± 0.002°
β	96.635 ± 0.002°
γ	108.711 ± 0.002°
Cell volume	1069.74 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
154670 (current)	2015-09-06	cif/ Updating files of 1520572 Original log message: Adding full bibliography for 1520572.cif.	1520572.cif
139358	2015-06-19	cif/ Adding structures of 1520572 via cif-deposit CGI script.	1520572.cif