Crystallography Open Database

Information card for entry 1552642

Preview

Coordinates	1552642.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hydroxy-des-N-methyl-α-obscurine
Formula	C16 H24 N2 O2
Calculated formula	C16 H24 N2 O2
SMILES	O=C1NC2=C([C@@]34NCCC[C@]4(O)[C@H](C2)C[C@H](C3)C)CC1
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	7.3734 ± 0.0002 Å
b	11.8187 ± 0.0003 Å
c	15.8275 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1379.27 ± 0.06 Å³
Cell temperature	168 ± 1 K
Ambient diffraction temperature	168 ± 1 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	0.0365
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
222165 (current)	2019-11-04	cif/ Adding structures of 1552642 via cif-deposit CGI script.	1552642.cif