Crystallography Open Database

Information card for entry 7110697

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Structure parameters

Formula	C68 H68 Cl12 N8 O4
Calculated formula	C68 H68 Cl12 N8 O4
Title of publication	Molecular braids: quintuple helical hydrogen bonded molecular network†
Authors of publication	Jaunky, Wojciech; Hosseini, Mir Wais; Planeix, Jean Marc; Cian, André De; Kyritsakas, Nathalie; Fischer, Jean
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	22
Pages of publication	2313
a	17.3435 ± 0.0006 Å
b	17.3435 ± 0.0006 Å
c	24.104 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	7250.4 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.183
Residual factor for significantly intense reflections	0.067
Weighted residual factors for all reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections	2.483
Goodness-of-fit parameter for all reflections included in the refinement	1.414
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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