Crystallography Open Database

Information card for entry 7244574

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Coordinates	7244574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H29 N4 O9
Calculated formula	C44 H28.958 N4 O8.958
Title of publication	Fluoranthene dyes for the detection of water content in methanol
Authors of publication	Liu, Yu-Chen; Lu, Guo-Dan; Zhou, Jia-Hui; Rong, Jie-Wei; Liu, Hui-Yan; Wang, Hai-Ying
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	12
Pages of publication	7405 - 7412
a	9.0077 ± 0.0003 Å
b	9.8072 ± 0.0004 Å
c	11.17 ± 0.0004 Å
α	85.052 ± 0.002°
β	68.8505 ± 0.0019°
γ	81.886 ± 0.002°
Cell volume	910.42 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1897
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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