Crystallography Open Database

Information card for entry 7156259

Preview

Coordinates	7156259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N2 O3
Calculated formula	C21 H20 N2 O3
Title of publication	Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.
Authors of publication	Cao, Jun; Sun, Jing; Yan, Chao-Guo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	22
Pages of publication	4170 - 4175
a	12.2787 ± 0.0015 Å
b	8.6166 ± 0.0011 Å
c	16.4475 ± 0.0019 Å
α	90°
β	103.03 ± 0.005°
γ	90°
Cell volume	1695.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0823
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
230599 (current)	2019-11-17	cif/ Updating files of 7156250, 7156251, 7156252, 7156253, 7156254, 7156255, 7156256, 7156257, 7156258, 7156259 Original log message: Adding full bibliography for 7156250--7156259.cif.	7156259.cif
207685	2018-05-08	cif/ Adding structures of 7156250, 7156251, 7156252, 7156253, 7156254, 7156255, 7156256, 7156257, 7156258, 7156259 via cif-deposit CGI script.	7156259.cif