Crystallography Open Database

Information card for entry 7160397

Preview

Coordinates	7160397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H25 O2 P
Calculated formula	C34 H25 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	10.3029 ± 0.0002 Å
b	26.9879 ± 0.0004 Å
c	18.4734 ± 0.0003 Å
α	90°
β	96.403 ± 0.001°
γ	90°
Cell volume	5104.55 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1848
Weighted residual factors for all reflections included in the refinement	0.1984
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7160397.cif
297899	2025-02-27	cif/ Adding structures of 7160396, 7160397 via cif-deposit CGI script.	7160397.cif