Crystallography Open Database

Information card for entry 1552641

Preview

Coordinates	1552641.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	lycogladine H
Formula	C17 H23 N O3
Calculated formula	C17 H23 N O3
SMILES	O(C(=O)[C@@H]1C=C2N3CCC[C@@H]4C(=O)C[C@@H]([C@]24CCC3)C1)C
Title of publication	Lycopodium Alkaloids: Lycoplatyrine A, an Unusual Lycodine-Piperidine Adduct from Lycopodium platyrhizoma and the Absolute Configurations of Lycoplanine D and Lycogladine H.
Authors of publication	Yeap, Joanne Soon-Yee; Lim, Kuan-Hon; Yong, Kien-Thai; Lim, Siew-Huah; Kam, Toh-Seok; Low, Yun-Yee
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	2
Pages of publication	324 - 329
a	6.8076 ± 0.0001 Å
b	14.3592 ± 0.0002 Å
c	15.3172 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1497.28 ± 0.04 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	4
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	0.041
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
222164 (current)	2019-11-04	cif/ Adding structures of 1552641 via cif-deposit CGI script.	1552641.cif