Crystallography Open Database

Information card for entry 4120823

4120822 << 4120823 >> 4120824

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Structure parameters

Formula	C56 H50 O3
Calculated formula	C56 H50 O3
Title of publication	A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs
Authors of publication	Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	14134 - 14141
a	16.1372 ± 0.0004 Å
b	6.3565 ± 0.0002 Å
c	20.2635 ± 0.0006 Å
α	90°
β	97.087 ± 0.002°
γ	90°
Cell volume	2062.67 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2126
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.189
Weighted residual factors for all reflections included in the refinement	0.2508
Goodness-of-fit parameter for all reflections included in the refinement	0.945
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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