Crystallography Open Database

Information card for entry 7158016

Preview

Coordinates	7158016.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	14
Chemical name	Nordiamantane carboxylic acid
Formula	C14 H18 O2
Calculated formula	C14 H18 O2
Title of publication	Synthesis of noradamantane derivatives by ring-contraction of the adamantane framework.
Authors of publication	Zonker, Benjamin; Becker, Jonathan; Hrdina, Radim
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	18
Pages of publication	4027 - 4031
a	6.517 ± 0.0004 Å
b	10.4112 ± 0.0007 Å
c	15.8832 ± 0.001 Å
α	90°
β	97.934 ± 0.002°
γ	90°
Cell volume	1067.36 ± 0.12 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
266169 (current)	2021-06-05	cif/ Updating files of 7158016 Original log message: Adding full bibliography for 7158016.cif.	7158016.cif
264026	2021-04-10	cif/ Adding structures of 7158016 via cif-deposit CGI script.	7158016.cif