Crystallography Open Database

Information card for entry 7123924

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Structure parameters

Formula	C16 H18 N4 O7
Calculated formula	C16 H18 N4 O7
Title of publication	Manipulating the dynamics of mechanochemical ternary cocrystal formation
Authors of publication	Kulla, Hannes; Michalchuk, Adam A. L.; Emmerling, Franziska
Journal of publication	Chemical Communications
Year of publication	2019
a	4.91505 ± 0.00014 Å
b	11.66385 ± 0.00019 Å
c	15.5627 ± 0.0005 Å
α	95.2473 ± 0.0011°
β	90.6137 ± 0.0015°
γ	92.843 ± 0.002°
Cell volume	887.25 ± 0.04 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor R(I) for significantly intense reflections	1
Goodness-of-fit parameter for all reflections	1.45864
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7082 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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