Crystallography Open Database

Information card for entry 4024083

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Coordinates	4024083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H35 Br2 N2 O4
Calculated formula	C37 H35 Br2 N2 O4
Title of publication	Selective Bromination of Perylene Diimides under Mild Conditions
Authors of publication	Paramasivan Rajasingh; Revital Cohen; Elijah Shirman; Linda J. W. Shimon; Boris Rybtchinski
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	5973 - 5979
a	10.594 ± 0.0002 Å
b	11.26 ± 0.0003 Å
c	14.358 ± 0.0003 Å
α	80.293 ± 0.001°
β	68.793 ± 0.0013°
γ	89.138 ± 0.0013°
Cell volume	1571.93 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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