Crystallography Open Database

Information card for entry 1573088

Preview

Coordinates	1573088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H99 N5 O2 P2 Si
Calculated formula	C66 H99 N5 O2 P2 Si
Title of publication	Diphosphaenones: beyond the phosphorus analogue of enones.
Authors of publication	Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	47
Pages of publication	20030 - 20038
a	18.5772 ± 0.0002 Å
b	16.1173 ± 0.0002 Å
c	21.8954 ± 0.0002 Å
α	90°
β	99.61 ± 0.001°
γ	90°
Cell volume	6463.8 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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

Version history

Revision	Date	Message	Files
296347 (current)	2024-12-06	cif/ Updating files of 1573084, 1573085, 1573086, 1573087, 1573088, 1573089, 1573090 Original log message: Adding full bibliography for 1573084--1573090.cif.	1573088.cif
295869	2024-11-12	cif/ Adding structures of 1573084, 1573085, 1573086, 1573087, 1573088, 1573089, 1573090 via cif-deposit CGI script.	1573088.cif