Crystallography Open Database

Information card for entry 4119481

4119480 << 4119481 >> 4119482

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Coordinates	4119481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 Ga N
Calculated formula	C29 H36 Ga N
SMILES	c12ccccc1c1ccccc1[Ga]12c2c(cc(cc2C[N]1(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Synthesis and Optical Properties of Stable Gallafluorene Derivatives: Investigation of Their Emission via Triplet States
Authors of publication	Takuya Matsumoto; Kazuo Tanaka; Yoshiki Chujo
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	4211 - 4214
a	8.0527 ± 0.0011 Å
b	11.9834 ± 0.0019 Å
c	25.563 ± 0.004 Å
α	90°
β	95.601 ± 0.005°
γ	90°
Cell volume	2455 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.188
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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