Crystallography Open Database

Information card for entry 2009059

2009058 << 2009059 >> 2009060

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Coordinates	2009059.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Spiro Pyrazolidine [5.3] 4'-Flavanone.
Formula	C35 H26 N2 O2
Calculated formula	C35 H26 N2 O2
SMILES	N1(N=C([C@@H]([C@@]21[C@H](Oc1ccccc1C2=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.N1(N=C([C@H]([C@]21[C@@H](Oc1ccccc1C2=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	2,4,5-Triphenylspiro[pyrazolidine-3,3'-(4'-flavanone)]
Authors of publication	Krishna, R.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Manikandan, S.; Raghunathan, R.
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	10
Pages of publication	IUC9900120
a	11.5244 ± 0.0002 Å
b	19.1647 ± 0.0003 Å
c	24.8355 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	5485.21 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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