Crystallography Open Database

Information card for entry 4113362

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Structure parameters

Formula	C23 H14 N2
Calculated formula	C23 H14 N2
SMILES	n1c2c(ccc1c1c3n4c(ccc3)c3ccccc3c4c1)cccc2
Title of publication	Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles
Authors of publication	Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	16793 - 16803
a	13.165 ± 0.0014 Å
b	3.9036 ± 0.0004 Å
c	15.4205 ± 0.0016 Å
α	90°
β	104.044 ± 0.002°
γ	90°
Cell volume	768.79 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0495
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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