Crystallography Open Database

Information card for entry 7157659

Preview

Coordinates	7157659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 N2 O4
Calculated formula	C32 H26 N2 O4
Title of publication	Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.
Authors of publication	Gadigennavar, Savita; Sankararaman, Sethuraman
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	34
Pages of publication	6738 - 6744
a	13.8872 ± 0.0004 Å
b	9.9072 ± 0.0003 Å
c	19.4383 ± 0.0006 Å
α	90°
β	90.026 ± 0.002°
γ	90°
Cell volume	2674.38 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1077
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1655
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
256177 (current)	2020-09-06	cif/ Updating files of 7157657, 7157658, 7157659 Original log message: Adding full bibliography for 7157657--7157659.cif.	7157659.cif
255291	2020-08-13	cif/ Adding structures of 7157657, 7157658, 7157659 via cif-deposit CGI script.	7157659.cif