Crystallography Open Database

Information card for entry 8106571

Preview

Coordinates	8106571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H31 N3 O3
Calculated formula	C26 H31 N3 O3
SMILES	O=C1N(C(N(C21CCCCC2)C(=O)CN1CCOCC1)c1ccccc1)c1ccccc1
Title of publication	Crystal structure of 2,3-diphenyl-1-(morpholin-4-ylacetyl)-1,3-diazaspiro[4.5]decan-4-one, C26H31N3O3
Authors of publication	Hassan, Rasha M.; Ghabbour, Hazem A.; Aboul-Enein, Mohamed N.; El-Azzouny, Aida A.; Saleh, Ola A.; Attia, Mohamed I.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	3
Pages of publication	465 - 467
a	8.8698 ± 0.0005 Å
b	24.4835 ± 0.0013 Å
c	11.789 ± 0.0006 Å
α	90°
β	113.024 ± 0.003°
γ	90°
Cell volume	2356.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0924
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
280576 (current)	2023-01-25	cif/ Adding structures of 8106571 via cif-deposit CGI script.	8106571.cif