Crystallography Open Database

Information card for entry 7233409

Preview

Coordinates	7233409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 O
Calculated formula	C18 H12 O
Title of publication	Polymorphism and resulting luminescence properties of 1-acetylpyrene
Authors of publication	Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	38
Pages of publication	5845
a	10.4667 ± 0.0006 Å
b	11.5284 ± 0.0004 Å
c	10.3816 ± 0.0005 Å
α	90°
β	104.218 ± 0.006°
γ	90°
Cell volume	1214.32 ± 0.11 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 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	0.0671
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223726 (current)	2019-11-07	cif/ Updating files of 7233408, 7233409, 7233410 Original log message: Adding full bibliography for 7233408--7233410.cif.	7233409.cif
217628	2019-08-21	cif/ Adding structures of 7233408, 7233409, 7233410 via cif-deposit CGI script.	7233409.cif