Crystallography Open Database

Information card for entry 7154356

Preview

Coordinates	7154356.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MACROCYCLE STRUCTURE 26
Formula	C69 H74 N12 O7
Calculated formula	C69 H74 N12 O7
Title of publication	Synthesis of novel tryptamine-based macrocycles using an Ugi 4-CR/microwave assisted click-cycloaddition reaction protocol.
Authors of publication	Chavez-Acevedo, Lizbeth; Miranda, Luis D.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	15
Pages of publication	4408 - 4412
a	15.5903 ± 0.0004 Å
b	18.0794 ± 0.0005 Å
c	25.8875 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7296.7 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1778
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.2051
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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