Crystallography Open Database

Information card for entry 8106762

Preview

Coordinates	8106762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 N O3
Calculated formula	C18 H17 N O3
Title of publication	Crystal structure of 2,8-diphenyl-3,7,9-trioxa-1-azaspiro[4.5]dec-1-ene, C18H17N1O3
Authors of publication	Zhang, Min; Li, Zhong-Yan; Yuan, Xian-You; Yuan, Lin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	1039 - 1040
a	14.9752 ± 0.0008 Å
b	9.0793 ± 0.0005 Å
c	11.103 ± 0.0006 Å
α	90°
β	106.431 ± 0.001°
γ	90°
Cell volume	1447.96 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0367
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8106762.html