Crystallography Open Database

Information card for entry 7131724

Preview

Coordinates	7131724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N O4 P
Calculated formula	C20 H18 N O4 P
Title of publication	Ring expansion reactions of PO-containing molecules.
Authors of publication	Yang, Zhongzhen; Tam, Jerry K. F.; Wootton, Jack M.; Lynam, Jason M.; Unsworth, William P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	51
Pages of publication	7927 - 7930
a	11.34363 ± 0.00018 Å
b	9.78579 ± 0.00015 Å
c	15.6829 ± 0.0002 Å
α	90°
β	93.0143 ± 0.0014°
γ	90°
Cell volume	1738.49 ± 0.04 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	5
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	0.0333
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
284837 (current)	2023-07-05	cif/ Updating files of 7131724 Original log message: Adding full bibliography for 7131724.cif.	7131724.cif
284067	2023-05-31	cif/ Adding structures of 7131724 via cif-deposit CGI script.	7131724.cif