Crystallography Open Database

Information card for entry 7125217

Preview

Coordinates	7125217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 N2 O8
Calculated formula	C13 H18 N2 O8
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	5.0892 ± 0.0003 Å
b	7.5329 ± 0.0005 Å
c	19.7851 ± 0.0012 Å
α	84.757 ± 0.004°
β	85.752 ± 0.004°
γ	81.727 ± 0.004°
Cell volume	746.03 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.108
Weighted residual factors for significantly intense reflections	0.3047
Weighted residual factors for all reflections included in the refinement	0.3099
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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