Crystallography Open Database

Information card for entry 7248995

Preview

Coordinates	7248995.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SR47436-A
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	37.4596 ± 0.0007 Å
b	37.4596 ± 0.0007 Å
c	9.8361 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	11953.1 ± 0.4 Å³
Cell temperature	293 ± 1 K
Ambient diffraction temperature	293 ± 1 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	0.0462
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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