Crystallography Open Database

Information card for entry 1571698

Preview

Coordinates	1571698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 O5
Calculated formula	C11 H10 O5
Title of publication	Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.
Authors of publication	Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	22
Pages of publication	8334 - 8345
a	7.9853 ± 0.0011 Å
b	11.7489 ± 0.0017 Å
c	10.3831 ± 0.0015 Å
α	90°
β	103.886 ± 0.006°
γ	90°
Cell volume	945.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0553
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
292865 (current)	2024-07-05	cif/ Updating files of 1571696, 1571697, 1571698 Original log message: Adding full bibliography for 1571696--1571698.cif.	1571698.cif
291993	2024-05-23	cif/ Adding structures of 1571696, 1571697, 1571698 via cif-deposit CGI script.	1571698.cif