Crystallography Open Database

Information card for entry 7251075

Preview

Coordinates	7251075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 N8 O7
Calculated formula	C6 H12 N8 O7
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	13.8934 ± 0.0019 Å
b	11.8961 ± 0.0015 Å
c	8.5408 ± 0.0014 Å
α	90°
β	121.962 ± 0.005°
γ	90°
Cell volume	1197.6 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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