Crystallography Open Database

Information card for entry 4024256

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Structure parameters

Formula	C19 H21 N O6
Calculated formula	C19 H21 N O6
SMILES	O1[C@H]2c3c(c([nH]c3)C(=O)OCC)[C@H](O[C@@H]2CO[C@H]1c1ccccc1)OC
Title of publication	Densely Functionalized Chiral Pyrroles from Endocyclic, Exocyclic, and Acyclic Vinyl Sulfone-Modified Carbohydrates
Authors of publication	Rahul Bhattacharya; Ananta Kumar Atta; Debanjana Dey; Tanmaya Pathak
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	669 - 674
a	14.2915 ± 0.0006 Å
b	4.2258 ± 0.0002 Å
c	16.0431 ± 0.0006 Å
α	90°
β	113.905 ± 0.001°
γ	90°
Cell volume	885.78 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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