Crystallography Open Database

Information card for entry 7061406

Preview

Coordinates	7061406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 O6
Calculated formula	C27 H26 O6
Title of publication	Achieving AIE from ACQ in positional isomeric triarylmethanes
Authors of publication	Singh, Soumya; Verma, Abhineet; Saha, Satyen
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	15
Pages of publication	7212 - 7222
a	9.59 ± 0.0016 Å
b	11.089 ± 0.002 Å
c	11.645 ± 0.002 Å
α	70.736 ± 0.007°
β	79.283 ± 0.007°
γ	81.374 ± 0.007°
Cell volume	1143.4 ± 0.3 Å³
Cell temperature	297.49 K
Ambient diffraction temperature	297.49 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1188
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.2174
Weighted residual factors for all reflections included in the refinement	0.2642
Goodness-of-fit parameter for all reflections included in the refinement	1.0152
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7061406.html