Crystallography Open Database

Information card for entry 8107442

Preview

Coordinates	8107442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 N O3
Calculated formula	C22 H23 N O3
SMILES	C1(=O)C(=C\c2ccc(cc2)N2CCOCC2)\CCc2ccc(cc12)OC
Title of publication	Crystal structure of (E)-7-methoxy-2-(4-morpholinobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C22H23NO3
Authors of publication	Yuan, Xiao-Qian; Zhao, Le-Hui; Zhang, Jia-Jing; Hou, Gui-Ge
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	363 - 365
a	9.6505 ± 0.0004 Å
b	9.9712 ± 0.0005 Å
c	10.0845 ± 0.0004 Å
α	68.177 ± 0.004°
β	88.106 ± 0.003°
γ	79.234 ± 0.004°
Cell volume	884.3 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285108 (current)	2023-07-10	cif/ Adding structures of 8107442 via cif-deposit CGI script.	8107442.cif