Crystallography Open Database

Information card for entry 1520694

1520693 << 1520694 >> 1520695

Preview

Coordinates	1520694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 N3 O13
Calculated formula	C33 H27 N3 O13
Title of publication	Synthesis of Tricyclo[4,3,1,0(1,5)]decane Core of Plumisclerin A Using Pauson-Khand Annulation and SmI2-Mediated Radical Cyclization.
Authors of publication	Chen, Ji-Peng; He, Wei; Yang, Zhen-Yu; Yao, Zhu-Jun
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3379 - 3381
a	11.319 ± 0.003 Å
b	12.665 ± 0.003 Å
c	14.597 ± 0.003 Å
α	86.284 ± 0.004°
β	86.306 ± 0.004°
γ	68.207 ± 0.003°
Cell volume	1937.1 ± 0.8 Å³
Cell temperature	133 K
Ambient diffraction temperature	133 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.2084
Weighted residual factors for all reflections included in the refinement	0.2246
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
152916 (current)	2015-08-05	cif/ Updating files of 1520694 Original log message: Adding full bibliography for 1520694.cif.	1520694.cif
139788	2015-06-30	cif/ Adding structures of 1520694 via cif-deposit CGI script.	1520694.cif