Crystallography Open Database

Information card for entry 7157532

Preview

Coordinates	7157532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 O3 Se
Calculated formula	C23 H18 O3 Se
Title of publication	Copper(i) catalyzed synthesis of selanyl methylene 4-chromanol and aurone derivatives.
Authors of publication	Sahoo, Sushree Ranjan; Sarkar, Debayan; Henkel, Felix; Reuter, Hans
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	24
Pages of publication	4619 - 4627
a	12.2311 ± 0.0004 Å
b	5.5378 ± 0.0002 Å
c	13.6984 ± 0.0004 Å
α	90°
β	95.773 ± 0.002°
γ	90°
Cell volume	923.13 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0498
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
253976 (current)	2020-07-06	cif/ Updating files of 7157532 Original log message: Adding full bibliography for 7157532.cif.	7157532.cif
252667	2020-06-05	cif/ Adding structures of 7157532 via cif-deposit CGI script.	7157532.cif