Crystallography Open Database

Information card for entry 7061405

Preview

Coordinates	7061405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.955 H25.866 O6
Calculated formula	C26.9553 H25.866 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	7.5373 ± 0.0003 Å
b	18.8689 ± 0.0007 Å
c	16.7618 ± 0.0006 Å
α	90°
β	92.521 ± 0.002°
γ	90°
Cell volume	2381.57 ± 0.16 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.0999
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.2016
Weighted residual factors for all reflections included in the refinement	0.2265
Goodness-of-fit parameter for all reflections included in the refinement	1.0279
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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