Crystallography Open Database

Information card for entry 7160396

Preview

Coordinates	7160396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 F O2 P
Calculated formula	C34 H24 F O2 P
Title of publication	Phosphinylation/cyclization of propynolaldehydes to isobenzo-furanylic phosphine oxides displaying AIE properties.
Authors of publication	Chang, Xin; Han, Xiao-Wen; Zhu, Hai-Tao; Zhou, Ni-Ni; Yang, Nan; Shen, Cheng-Ping; Qi, Chunxuan; Zhou, An-Xi; Feng, Hai-Tao; Tang, Ben Zhong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	13
Pages of publication	3154 - 3162
a	9.3555 ± 0.0005 Å
b	11.2209 ± 0.0008 Å
c	14.2183 ± 0.0008 Å
α	68.506 ± 0.002°
β	85.739 ± 0.004°
γ	70.953 ± 0.002°
Cell volume	1311.02 ± 0.14 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299109 (current)	2025-04-05	cif/ Updating files of 7160396, 7160397 Original log message: Adding full bibliography for 7160396--7160397.cif.	7160396.cif
297899	2025-02-27	cif/ Adding structures of 7160396, 7160397 via cif-deposit CGI script.	7160396.cif