Crystallography Open Database

Information card for entry 7231031

Preview

Coordinates	7231031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H18 F6 N2
Calculated formula	C29 H18 F6 N2
Title of publication	High contrast mechanochromic and thermochromic luminescence switching by a deep red emitting organic crystal
Authors of publication	Panda, Manas K.; Ravi, Nayana; Asha, P.; Prakasham, A. P.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	6046
a	8.9164 ± 0.0006 Å
b	16.6045 ± 0.001 Å
c	16.3908 ± 0.0011 Å
α	90°
β	101.409 ± 0.003°
γ	90°
Cell volume	2378.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1183
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.2499
Weighted residual factors for all reflections included in the refinement	0.2874
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
228968 (current)	2019-11-17	cif/ Updating files of 7231031 Original log message: Adding full bibliography for 7231031.cif.	7231031.cif
208640	2018-06-26	cif/ Adding structures of 7231031 via cif-deposit CGI script.	7231031.cif