Crystallography Open Database

Information card for entry 8106258

Preview

Coordinates	8106258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 N O4
Calculated formula	C16 H17 N O4
Title of publication	The crystal structure of 3-((phenylamino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, C16H17N1O4
Authors of publication	Jin-He, Jiang; Wu-Lan, Zeng; Yong-Mei, Yang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	677 - 678
a	7.0971 ± 0.0003 Å
b	7.6638 ± 0.0004 Å
c	13.2375 ± 0.0006 Å
α	92.116 ± 0.001°
β	99.69 ± 0.001°
γ	95.196 ± 0.001°
Cell volume	705.81 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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