Crystallography Open Database

Information card for entry 7157790

Preview

Coordinates	7157790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 O4
Calculated formula	C12 H16 O4
Title of publication	Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives
Authors of publication	Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2020
Journal volume	18
Journal issue	45
Pages of publication	9284 - 9291
a	11.6744 ± 0.0007 Å
b	9.2737 ± 0.0006 Å
c	11.2747 ± 0.0005 Å
α	90°
β	114.21 ± 0.002°
γ	90°
Cell volume	1113.3 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.0607
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
259461 (current)	2020-12-02	cif/ Adding structures of 7157786, 7157787, 7157788, 7157789, 7157790, 7157791, 7157792 via cif-deposit CGI script.	7157790.cif