Crystallography Open Database

Information card for entry 7251078

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Coordinates	7251078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H11 N9 O5
Calculated formula	C6 H11 N9 O5
Title of publication	A methyl-driven strategy enhances sensitivity through the modulation of aromaticity
Authors of publication	Guo, Benyue; Hu, Lu; Pang, Siping
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	45
Pages of publication	7328 - 7332
a	14.1206 ± 0.0006 Å
b	19.4498 ± 0.0008 Å
c	8.7731 ± 0.0003 Å
α	90°
β	106.183 ± 0.002°
γ	90°
Cell volume	2314 ± 0.16 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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