Crystallography Open Database

Information card for entry 7062160

Preview

Coordinates	7062160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 Cl3 N8 P3
Calculated formula	C29 H36 Cl3 N8 P3
SMILES	[P@@]12(=NP(Cl)(Cl)=N[P@@]3(=N1)N(CCN3CC)Cc1ccc(Cl)cc1)N(CCN2C)Cc1ccc2n(c3c(c2c1)cccc3)CC.[P@]12(=NP(Cl)(Cl)=N[P@]3(=N1)N(CCN3CC)Cc1ccc(Cl)cc1)N(CCN2C)Cc1ccc2n(c3c(c2c1)cccc3)CC
Title of publication	Phosphorus–nitrogen compounds: part 68. Synthesis, characterization, stereogenism, photophysical and bioactivity studies of novel unsymmetrical dispiro(N/N)cyclotriphosphazenes with carbazolyl and 4-chlorobenzyl pendant arms
Authors of publication	Cemaloğlu, Reşit; Asmafiliz, Nuran; Kılıç, Zeynel; Çoşut, Bünyemin; Sabah, Büşra Nur; Açık, Leyla; Çerçi, Nebahat Aytuna; Hökelek, Tuncer
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	4
Pages of publication	1900 - 1915
a	22.1066 ± 0.0005 Å
b	9.3979 ± 0.0004 Å
c	30.6163 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6360.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281521 (current)	2023-03-04	cif/ Updating files of 7062159, 7062160 Original log message: Adding full bibliography for 7062159--7062160.cif.	7062160.cif
279848	2022-12-13	cif/ Adding structures of 7062159, 7062160 via cif-deposit CGI script.	7062160.cif