Crystallography Open Database

Information card for entry 7126897

Preview

Coordinates	7126897.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lorlatinib
Formula	C21 H19 F N6 O2
Calculated formula	C21 H19 F N6 O2
Title of publication	A general method for cultivating single crystals from melt microdroplets.
Authors of publication	Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	69
Pages of publication	9950 - 9953
a	13.1669 ± 0.0001 Å
b	15.4955 ± 0.0001 Å
c	18.8598 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3847.92 ± 0.04 Å³
Cell temperature	297.99 ± 0.15 K
Ambient diffraction temperature	297.99 ± 0.15 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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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