Crystallography Open Database

Information card for entry 4021948

4021947 << 4021948 >> 4021949

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Coordinates	4021948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H32 N2 O9
Calculated formula	C37 H32 N2 O9
Title of publication	Efficient and Mild Microwave-Assisted Stepwise Functionalization of Naphthalenediimide with -Amino Acids
Authors of publication	Paolo Pengo; G. Dan Pantoş; Sijbren Otto; Jeremy K. M. Sanders
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	7063 - 7066
a	9.2755 ± 0.0002 Å
b	13.5333 ± 0.0003 Å
c	25.1099 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3152 ± 0.13 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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