Crystallography Open Database

Information card for entry 1546799

Preview

Coordinates	1546799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 N O3
Calculated formula	C16 H21 N O3
SMILES	O=C1CCCN2CCC[C@]32OC(=O)C2=C3C[C@H]1C[C@H]2C
Title of publication	Lycoplanine A, a C16N Lycopodium Alkaloid with a 6/9/5 Tricyclic Skeleton from Lycopodium complanatum.
Authors of publication	Zhang, Zhi-Jun; Nian, Yin; Zhu, Qin-Feng; Li, Xiao-Nian; Su, Jia; Wu, Xing-De; Yang, Jian; Zhao, Qin-Shi
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	17
Pages of publication	4668 - 4671
a	12.9639 ± 0.0005 Å
b	12.9639 ± 0.0005 Å
c	14.8451 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	2160.65 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200725 (current)	2017-09-12	cif/ Updating files of 1546799 Original log message: Adding full bibliography for 1546799.cif.	1546799.cif
199906	2017-08-24	cif/ Adding structures of 1546799 via cif-deposit CGI script.	1546799.cif