Crystallography Open Database

Information card for entry 2005382

2005381 << 2005382 >> 2005383

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Coordinates	2005382.cif
Original IUCr paper	HTML

Structure parameters

Formula	C20 H23 N O4
Calculated formula	C20 H23 N O4
SMILES	o1c(=O)c(cc2cc3c4N(CCC3)CCCc4c12)C(=O)OC(C)(C)C
Title of publication	Coumarin 338
Authors of publication	Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	9
Pages of publication	2363 - 2365
a	9.1259 ± 0.0008 Å
b	21.802 ± 0.001 Å
c	9.0555 ± 0.0009 Å
α	90°
β	102.85 ± 0.008°
γ	90°
Cell volume	1756.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.087
Goodness-of-fit parameter for significantly intense reflections	2.3
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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