Crystallography Open Database

Information card for entry 1556188

Preview

Coordinates	1556188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.6 H39.25 Cl0.35 F5 N1.5 O4
Calculated formula	C40.6 H39.25 Cl0.35 F5 N1.5 O4
Title of publication	Synthesis of pyridine-fused perylene imides with an amidine moiety for hydrogen bonding.
Authors of publication	Ito, Satoru; Hiroto, Satoru; Shinokubo, Hiroshi
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	12
Pages of publication	3110 - 3113
a	6.872 ± 0.003 Å
b	22.864 ± 0.007 Å
c	25.039 ± 0.009 Å
α	70.46 ± 0.02°
β	85.66 ± 0.03°
γ	76.63 ± 0.03°
Cell volume	3607 ± 2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3475
Residual factor for significantly intense reflections	0.1691
Weighted residual factors for significantly intense reflections	0.3912
Weighted residual factors for all reflections included in the refinement	0.4973
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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