Crystallography Open Database

Information card for entry 4031089

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Coordinates	4031089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Br8 N4
Calculated formula	C72 H60 Br8 N4
Title of publication	Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.
Authors of publication	Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	12
Pages of publication	6300 - 6312
a	10.559 ± 0.004 Å
b	12.438 ± 0.004 Å
c	25.464 ± 0.009 Å
α	92.67 ± 0.05°
β	92.01 ± 0.05°
γ	101.27 ± 0.05°
Cell volume	3273 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.2392
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	0.885
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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