Crystallography Open Database

Information card for entry 7125216

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Coordinates	7125216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 N6 O9
Calculated formula	C24 H26 N6 O9
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	5.074 ± 0.002 Å
b	29.696 ± 0.014 Å
c	8.498 ± 0.004 Å
α	90°
β	103.16 ± 0.03°
γ	90°
Cell volume	1246.8 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.189
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.2024
Weighted residual factors for all reflections included in the refinement	0.2638
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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