Crystallography Open Database

Information card for entry 7248090

Preview

Coordinates	7248090.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	MTQ
Formula	C27 H16 N4
Calculated formula	C27 H15.5 N4
Title of publication	Dual-rotor strategy for organic cocrystals with enhanced near-infrared photothermal conversion
Authors of publication	Wen, Xinyi; Shao, Yixin; Chen, Ye-Tao; He, Jiaxing; Chen, Shun-Li; Dang, Li; Li, Ming-De
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	7
Pages of publication	4503 - 4508
a	11.19 ± 0.0005 Å
b	13.4371 ± 0.0005 Å
c	7.0568 ± 0.0003 Å
α	90°
β	98.472 ± 0.003°
γ	90°
Cell volume	1049.49 ± 0.08 Å³
Cell temperature	299.82 ± 0.1 K
Ambient diffraction temperature	299.82 ± 0.1 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1871
Weighted residual factors for all reflections included in the refinement	0.197
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7248090.html