Crystallography Open Database

Information card for entry 4034407

Preview

Coordinates	4034407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 N O2
Calculated formula	C12 H13 N O2
SMILES	O=C1N[C@@]2(c3c(O)cccc3CC2)CC1
Title of publication	Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.
Authors of publication	Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	15
Pages of publication	9460 - 9473
a	12.238 ± 0.0001 Å
b	12.238 ± 0.0001 Å
c	13.7036 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2052.37 ± 0.04 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
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
222938 (current)	2019-11-04	cif/ Adding structures of 4034407 via cif-deposit CGI script.	4034407.cif