Crystallography Open Database

Information card for entry 7239047

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Structure parameters

Formula	C17 H26 Cl N O3
Calculated formula	C17 H26 Cl N O3
Title of publication	Synthetic studies towards the Lycopodium alkaloid paniculatine
Authors of publication	Lei, Shenghui
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	27
Pages of publication	11014
a	12.523 ± 0.0003 Å
b	9.641 ± 0.0002 Å
c	14.152 ± 0.0004 Å
α	90°
β	102.01 ± 0.003°
γ	90°
Cell volume	1671.23 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7239047.cif
244520	2019-11-28	cif/ Adding structures of 7239045, 7239046, 7239047 via cif-deposit CGI script.	7239047.cif