Crystallography Open Database

Information card for entry 7135771

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Coordinates	7135771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H25 N
Calculated formula	C32 H25 N
Title of publication	Mechanochemical NH4Cl-Mediated Hydrogen-Bonding Network Reconstruction of HFIP: Enabling Yne-Allylic Substitutions
Authors of publication	Zuo, Linhong; Zhou, Haifeng; Yang, Qianzhi; Kong, Xuguang; Liu, Xin; Liu, Qixing
Journal of publication	Chemical Communications
Year of publication	2026
a	10.2035 ± 0.0006 Å
b	10.3335 ± 0.0008 Å
c	11.6404 ± 0.0008 Å
α	94.054 ± 0.006°
β	105.675 ± 0.005°
γ	95.557 ± 0.005°
Cell volume	1170.12 ± 0.14 Å³
Cell temperature	149.95 ± 0.1 K
Ambient diffraction temperature	149.95 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.1856
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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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