Crystallography Open Database

Information card for entry 4023512

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Coordinates	4023512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H45 N6 O7.5
Calculated formula	C42 H42 N6 O7.5
Title of publication	Chiral Spherical Molecule Constructed from Aromatic Amides: Facile Synthesis and Highly Ordered Network Structure in the Crystal
Authors of publication	Hyuma Masu; Takako Kato; Masahide Tominaga
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	5143 - 5146
a	15.5799 ± 0.0015 Å
b	27.514 ± 0.003 Å
c	9.2074 ± 0.0009 Å
α	90°
β	92.224 ± 0.002°
γ	90°
Cell volume	3943.9 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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