Crystallography Open Database

Information card for entry 4518027

Preview

Coordinates	4518027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Cl3 O3 P
Calculated formula	C22 H20 Cl3 O3 P
Title of publication	Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.
Authors of publication	Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro
Journal of publication	ACS omega
Year of publication	2020
Journal volume	5
Journal issue	37
Pages of publication	23621 - 23630
a	11.0373 ± 0.0003 Å
b	20.9634 ± 0.0004 Å
c	24.3544 ± 0.0005 Å
α	76.4018 ± 0.0017°
β	81.4278 ± 0.0017°
γ	80.7315 ± 0.0019°
Cell volume	5369.2 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.1094
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.2273
Weighted residual factors for all reflections included in the refinement	0.2632
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257063 (current)	2020-10-04	cif/ Updating files of 4518025, 4518026, 4518027, 4518028, 4518029, 4518030 Original log message: Adding full bibliography for 4518025--4518030.cif.	4518027.cif
256261	2020-09-10	cif/ Adding structures of 4518027 via cif-deposit CGI script.	4518027.cif