Crystallography Open Database

Information card for entry 4518029

Preview

Coordinates	4518029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H54 O6 P2
Calculated formula	C53 H54 O6 P2
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	14.58208 ± 0.00011 Å
b	14.63153 ± 0.00014 Å
c	21.2423 ± 0.0002 Å
α	90°
β	96.8405 ± 0.0008°
γ	90°
Cell volume	4499.96 ± 0.07 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
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	0.0568
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1235
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
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.	4518029.cif
256263	2020-09-10	cif/ Adding structures of 4518029 via cif-deposit CGI script.	4518029.cif