Crystallography Open Database

Information card for entry 7132771

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Coordinates	7132771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.68 H32.49 N6 O1.56
Calculated formula	C26.686 H32.496 N6 O1.562
Title of publication	Growth "self-inhibition" of irbesartan desmotrope: surface intra-annular tautomer inter-conversion is the culprit.
Authors of publication	Kang, Xiang; Zhang, Mingtao; Tang, Weiwei; Gong, Junbo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	26
Pages of publication	3511 - 3514
a	37.3204 ± 0.0019 Å
b	37.3204 ± 0.0019 Å
c	9.7227 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	11727.6 ± 1.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0782
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1628
Weighted residual factors for all reflections included in the refinement	0.1719
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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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