Crystallography Open Database

Information card for entry 7121318

Preview

Coordinates	7121318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 N
Calculated formula	C18 H23 N
Title of publication	Formal synthesis of chelamidine alkaloids and their derivatives.
Authors of publication	Li, Rui-Qi; He, Yu; Ding, Yao; Ang, Chee-Kiat; Tian, Jie-Sheng; Loh, Teck-Peng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	25
Pages of publication	3150 - 3153
a	8.5072 ± 0.0006 Å
b	9.2974 ± 0.0006 Å
c	9.7885 ± 0.0006 Å
α	88.049 ± 0.003°
β	78.84 ± 0.003°
γ	70.388 ± 0.003°
Cell volume	715.11 ± 0.08 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228296 (current)	2019-11-17	cif/ Updating files of 7121318 Original log message: Adding full bibliography for 7121318.cif.	7121318.cif
206633	2018-02-24	cif/ Adding structures of 7121318 via cif-deposit CGI script.	7121318.cif