Crystallography Open Database

Information card for entry 7062809

Preview

Coordinates	7062809.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	'2,4-dihydroxy-3,5-dinitrophenon'
Formula	C8 H6 N2 O7
Calculated formula	C8 H6 N2 O7
Title of publication	Aggregation-induced emission and reversible mechanoresponsive behavior of boryl substituted phenothiazine
Authors of publication	Zhang, Weidong; Zhou, Juanfang; Zhang, Chao; Liu, Xinliang
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	44
Pages of publication	20510 - 20516
a	9.72 ± 0.0019 Å
b	9.68 ± 0.0019 Å
c	10.8 ± 0.002 Å
α	90°
β	108 ± 0.03°
γ	90°
Cell volume	966.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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