Crystallography Open Database

Information card for entry 7110491

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Coordinates	7110491.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9-methyltriptycene
Chemical name	tribenzobarellenemethane
Formula	C21 H16
Calculated formula	C21 H16
Title of publication	Air-stable crystalline primary phosphines and germanes: synthesis and crystal structures of dibenzobarellenephosphine and tribenzobarellenegermane
Authors of publication	Brynda, Marcin; Geoffroy, Michel; Bernardinelli, Gérald
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	11
Pages of publication	961
a	11.7919 ± 0.0007 Å
b	11.7919 ± 0.0007 Å
c	17.5871 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	2117.8 ± 0.2 Å³
Cell temperature	170 K
Number of distinct elements	2
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.038
Weighted residual factors for all reflections included in the refinement	0.036
Goodness-of-fit parameter for all reflections included in the refinement	4.803
Diffraction radiation wavelength	1.54183 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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