Crystallography Open Database

Information card for entry 1577496

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Chemical name	4-[(4-Fluorophenyl)amino]-5-(2-methoxyphenyl)-8,8-dimethyl-6,7,8,9-tetrahydro-5<i>H</i>-chromeno[2,3-<i>d</i>]pyrimidin-6-one
Formula	C26 H24 F N3 O3
Calculated formula	C26 H24 F N3 O3
Title of publication	4-[(4-Fluorophenyl)amino]-5-(2-methoxyphenyl)-8,8-dimethyl-6,7,8,9-tetrahydro-5H-chromeno[2,3-d]pyrimidin-6-one
Authors of publication	Adeleke, Adesola A.; Zamisa, Sizwe J.; Zinyemba, Orpah; Omondi, Bernard; Olatunji, Olatunde S.
Journal of publication	IUCrData
Year of publication	2026
Journal volume	11
Journal issue	10
a	9.1806 ± 0.0003 Å
b	10.3535 ± 0.0003 Å
c	12.8852 ± 0.0004 Å
α	66.585 ± 0.001°
β	88.943 ± 0.001°
γ	78.562 ± 0.001°
Cell volume	1099.09 ± 0.06 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
307008 (current)	2026-10-30	cif/ Adding structures of 1577496 via cif-deposit CGI script.	1577496.cif