Crystallography Open Database

Information card for entry 7156310

Preview

Coordinates	7156310.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Unknown
Formula	C23 H25 F N3 O4
Calculated formula	C23 H25 F N3 O4
Title of publication	An organocatalytic asymmetric Mannich reaction for the synthesis of 3,3-disubstituted-3,4-dihydro-2-quinolones.
Authors of publication	Mukhopadhyay, Soumendranath; Pan, Subhas Chandra
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	30
Pages of publication	5407 - 5411
a	11.8968 ± 0.0011 Å
b	18.4254 ± 0.0017 Å
c	10.7033 ± 0.0008 Å
α	90°
β	103.556 ± 0.008°
γ	90°
Cell volume	2280.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0982
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
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
230803 (current)	2019-11-17	cif/ Updating files of 7156310 Original log message: Adding full bibliography for 7156310.cif.	7156310.cif
208995	2018-07-12	cif/ Adding structures of 7156310 via cif-deposit CGI script.	7156310.cif