Crystallography Open Database

Information card for entry 2312725

Preview

Coordinates	2312725.cif
Original IUCr paper	HTML

Structure parameters

Formula	C24 H18
Calculated formula	C24 H18
Title of publication	How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors.
Authors of publication	Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2025
Journal volume	81
Journal issue	1
a	7.5893 ± 0.0004 Å
b	19.7154 ± 0.0006 Å
c	11.2305 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1680.38 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1685
Residual factor for significantly intense reflections	0.1087
Weighted residual factors for significantly intense reflections	0.2511
Weighted residual factors for all reflections included in the refinement	0.2796
Goodness-of-fit parameter for all reflections included in the refinement	0.889
Diffraction radiation wavelength	0.02851 Å
Diffraction radiation type	electrons
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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