Crystallography Open Database

Information card for entry 7060537

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Coordinates	7060537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 N7 O6 P3
Calculated formula	C42 H30 N7 O6 P3
Title of publication	ESIPT on/off switching and crystallization-enhanced emission properties of new design phenol-pyrazole modified cyclotriphosphazenes
Authors of publication	Mutlu Balcı, Ceylan; Tümay, Süreyya Oğuz; Beşli, Serap
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	19
Pages of publication	8492 - 8505
a	16.884 ± 0.009 Å
b	11.505 ± 0.006 Å
c	19.587 ± 0.01 Å
α	90°
β	94.634 ± 0.009°
γ	90°
Cell volume	3792 ± 3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
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	0.0862
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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