Crystallography Open Database

Information card for entry 7251822

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Coordinates	7251822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 N4 O5
Calculated formula	C20 H26 N4 O5
Title of publication	Modulating some photophysical properties of cocrystals
Authors of publication	Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.
Journal of publication	CrystEngComm
Year of publication	2026
a	6.42159 ± 0.00009 Å
b	12.65205 ± 0.00014 Å
c	13.02701 ± 0.00017 Å
α	76.6124 ± 0.001°
β	75.8298 ± 0.0012°
γ	80.7872 ± 0.001°
Cell volume	992.29 ± 0.02 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 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 for all reflections	0.0408
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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