Crystallography Open Database

Information card for entry 7248994

Preview

Coordinates	7248994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 N6 O
Calculated formula	C25 H28 N6 O
Title of publication	A score and nine years of irbesartan
Authors of publication	Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	34
Pages of publication	4566 - 4578
a	37.2454 ± 0.0008 Å
b	37.2454 ± 0.0008 Å
c	9.65133 ± 0.00017 Å
α	90°
β	90°
γ	120°
Cell volume	11594.8 ± 0.4 Å³
Cell temperature	89.9 ± 0.6 K
Ambient diffraction temperature	89.9 ± 0.6 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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