Crystallography Open Database

Information card for entry 4513659

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Coordinates	4513659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H54 N8 Si2
Calculated formula	C52 H54 N8 Si2
Title of publication	Highly Ordered Phenanthroline-Fused Azaacene
Authors of publication	An, Cunbin; Guo, Xin; Baumgarten, Martin
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	11
Pages of publication	5240
a	8.2898 ± 0.0008 Å
b	9.0365 ± 0.0008 Å
c	15.8931 ± 0.0016 Å
α	84.845 ± 0.008°
β	84.909 ± 0.008°
γ	74.567 ± 0.008°
Cell volume	1140.38 ± 0.19 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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