Crystallography Open Database

Information card for entry 8104911

Preview

Coordinates	8104911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 N O2
Calculated formula	C20 H19 N O2
Title of publication	The crystal structure of 2-[(S)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a- tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2
Authors of publication	Gong, Yi-Xia; Geng, Yi-Ding
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	1
Pages of publication	167 - 168
a	6.6856 ± 0.0005 Å
b	8.8783 ± 0.0007 Å
c	13.2398 ± 0.0009 Å
α	90°
β	97.72 ± 0.002°
γ	90°
Cell volume	778.75 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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