Crystallography Open Database

Information card for entry 7239722

Preview

Coordinates	7239722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 O4
Calculated formula	C26 H22 O4
Title of publication	Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds
Authors of publication	Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	2
Pages of publication	739 - 745
a	9.2415 ± 0.0004 Å
b	11.3298 ± 0.0005 Å
c	8.8293 ± 0.0004 Å
α	90°
β	90.639 ± 0.004°
γ	90°
Cell volume	924.41 ± 0.07 Å³
Cell temperature	199.98 ± 0.1 K
Ambient diffraction temperature	199.98 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
258049 (current)	2020-10-06	cif/ Updating files of 7239720, 7239721, 7239722 Original log message: Adding full bibliography for 7239720--7239722.cif.	7239722.cif
246468	2020-01-03	cif/ Adding structures of 7239720, 7239721, 7239722 via cif-deposit CGI script.	7239722.cif