Crystallography Open Database

Information card for entry 7125218

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Coordinates	7125218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 N2 O3
Calculated formula	C7 H7 N2 O3
Title of publication	pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.
Authors of publication	Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	92
Pages of publication	13452 - 13455
a	7.2149 ± 0.0004 Å
b	12.4451 ± 0.0007 Å
c	15.6775 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1407.69 ± 0.13 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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