Crystallography Open Database

Information card for entry 7151290

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Structure parameters

Formula	C34 H33 N O2 S
Calculated formula	C34 H33 N O2 S
SMILES	s1c(C23C(=O)c4ccccc4C(=C2Oc2cc(N(CCCC)CCCC)ccc32)c2ccccc2)ccc1
Title of publication	Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.
Authors of publication	Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira
Journal of publication	Organic & biomolecular chemistry
Year of publication	2006
Journal volume	4
Journal issue	18
Pages of publication	3406 - 3409
a	10.088 ± 0.008 Å
b	16.317 ± 0.006 Å
c	9.031 ± 0.006 Å
α	91.18 ± 0.04°
β	97.28 ± 0.06°
γ	72.73 ± 0.04°
Cell volume	1407.9 ± 1.6 Å³
Cell temperature	296.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.27713
Residual factor for significantly intense reflections	0.10888
Weighted residual factors for significantly intense reflections	0.24298
Weighted residual factors for all reflections included in the refinement	0.28412
Goodness-of-fit parameter for all reflections included in the refinement	1.601
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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