Crystallography Open Database

Information card for entry 4022980

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Coordinates	4022980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H18.5 N7.5
Calculated formula	C29 H18.5 N7.5
Title of publication	Synthesis and Structural Investigation of New Triptycene-Based Ligands: En Route to Shape-Persistent Dendrimers and Macrocycles with Large Free Volume
Authors of publication	Jonathan H. Chong; Mark J. MacLachlan
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	8683 - 8690
a	30.05 ± 0.004 Å
b	8.5056 ± 0.0008 Å
c	17.79 ± 0.003 Å
α	90°
β	93.173 ± 0.005°
γ	90°
Cell volume	4539.9 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.1071
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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