Crystallography Open Database

Information card for entry 7159768

Preview

Coordinates	7159768.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-(3-morpholino-2,2-diphenyl-2,3-dihydrobenzol[b][1,4]dioxin-6-yl)ethan-1-ol
Formula	C26 H27 N O4
Calculated formula	C26 H27 N O4
Title of publication	An electrochemical access to 2-amino-2,3-dihydro-1,4-benzodioxanes derived from hydroxytyrosol.
Authors of publication	Neudorffer, Anne; Deschamps, Patrick; Largeron, Martine; Deguin, Brigitte
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	5
Pages of publication	1057 - 1063
a	39.383 ± 0.003 Å
b	6.2918 ± 0.0005 Å
c	17.9687 ± 0.0014 Å
α	90°
β	107.702 ± 0.004°
γ	90°
Cell volume	4241.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2139
Residual factor for significantly intense reflections	0.1204
Weighted residual factors for significantly intense reflections	0.254
Weighted residual factors for all reflections included in the refinement	0.2906
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289615 (current)	2024-02-04	cif/ Updating files of 7159768 Original log message: Adding full bibliography for 7159768.cif.	7159768.cif
289048	2024-01-12	cif/ Adding structures of 7159768 via cif-deposit CGI script.	7159768.cif