Crystallography Open Database

Information card for entry 7063675

Preview

Coordinates	7063675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 N2 O
Calculated formula	C19 H18 N2 O
Title of publication	Access to isolable cyclic dienamines and N-aryl-2-aminobenzophenones from Morita–Baylis–Hillman ketones
Authors of publication	Sharma, Sachin; Kanwar, Nikita; Khan, Akram Gulam Hussain; Easwar, Srinivasan
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	11
Pages of publication	4639 - 4646
a	13.302 ± 0.004 Å
b	5.6532 ± 0.0015 Å
c	21.875 ± 0.007 Å
α	90°
β	103.777 ± 0.009°
γ	90°
Cell volume	1597.6 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1719
Weighted residual factors for all reflections included in the refinement	0.1887
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
299038 (current)	2025-04-05	cif/ Updating files of 7063675 Original log message: Adding full bibliography for 7063675.cif.	7063675.cif
297795	2025-02-20	cif/ Adding structures of 7063675 via cif-deposit CGI script.	7063675.cif