Crystallography Open Database

Information card for entry 1555016

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Coordinates	1555016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C152 H128 N8 O24 Zn
Calculated formula	C152 H128 N8 O24 Zn
Title of publication	Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms
Authors of publication	Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	18
Pages of publication	3192
a	12.8844 ± 0.0013 Å
b	13.9073 ± 0.0013 Å
c	20.6328 ± 0.0019 Å
α	98.862 ± 0.007°
β	106.525 ± 0.007°
γ	94.899 ± 0.007°
Cell volume	3469.4 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1869
Residual factor for significantly intense reflections	0.138
Weighted residual factors for significantly intense reflections	0.384
Weighted residual factors for all reflections included in the refinement	0.42
Goodness-of-fit parameter for all reflections included in the refinement	1.446
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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