Crystallography Open Database

Information card for entry 4035190

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Coordinates	4035190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H67 Cl3 O6
Calculated formula	C100 H67 Cl3 O6
Title of publication	A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.
Authors of publication	Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	19
Pages of publication	11532 - 11540
a	24.871 ± 0.0008 Å
b	16.1571 ± 0.0004 Å
c	22.4581 ± 0.0007 Å
α	90°
β	108.057 ± 0.003°
γ	90°
Cell volume	8580.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.2121
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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