Crystallography Open Database

Information card for entry 7249937

Preview

Coordinates	7249937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 O5
Calculated formula	C21 H26 O5
Title of publication	Continuous flow synthesis of cyclobutenes via lithium ynolates
Authors of publication	Kohyama, Aki; Namioka, Motoki; Naka, Hiroshi; Ashikari, Yosuke; Nagaki, Aiichiro; Takikawa, Hiroshi; Yamaoka, Yousuke; Takasu, Kiyosei
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	10
Pages of publication	2760 - 2765
a	5.52413 ± 0.00013 Å
b	15.246 ± 0.0004 Å
c	22.0591 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1857.84 ± 0.08 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298954 (current)	2025-04-05	cif/ Updating files of 7249937 Original log message: Adding full bibliography for 7249937.cif.	7249937.cif
297692	2025-02-12	cif/ Adding structures of 7249937 via cif-deposit CGI script.	7249937.cif