Crystallography Open Database

Information card for entry 7110698

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Coordinates	7110698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H77 N9 O8
Calculated formula	C77 H62 N9 O8
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	17.208 ± 0.001 Å
b	17.208 ± 0.001 Å
c	23.775 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	7040.1 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.308
Residual factor for significantly intense reflections	0.099
Weighted residual factors for all reflections	0.224
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections	3.22
Goodness-of-fit parameter for all reflections included in the refinement	1.676
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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