Crystallography Open Database

Information card for entry 7158320

Preview

Coordinates	7158320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 N O2 P
Calculated formula	C24 H24 N O2 P
SMILES	P(=O)(C1N(C(=O)c2c1cccc2)CCCC)(c1ccccc1)c1ccccc1
Title of publication	Three-component synthesis, utilization and biological activity of phosphinoyl-functionalized isoindolinones.
Authors of publication	Popovics-Tóth, Nóra; Rávai, Bettina; Tajti, Ádám; Varga, Bence; Bagi, Péter; Perdih, Franc; Szabó, Pál Tamás; Hackler, Jr, László; Puskás, László G; Bálint, Erika
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	40
Pages of publication	8754 - 8760
a	11.7785 ± 0.0007 Å
b	17.1967 ± 0.0009 Å
c	11.2241 ± 0.0006 Å
α	90°
β	115.786 ± 0.008°
γ	90°
Cell volume	2047.1 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
270511 (current)	2021-11-06	cif/ Updating files of 7158320, 7158321 Original log message: Adding full bibliography for 7158320--7158321.cif.	7158320.cif
269393	2021-09-30	cif/ Adding structures of 7158320, 7158321 via cif-deposit CGI script.	7158320.cif