Crystallography Open Database

Information card for entry 4025384

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Coordinates	4025384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H50 N2 O6
Calculated formula	C28 H50 N2 O6
Title of publication	Substrate-Controlled and Organocatalytic Asymmetric Synthesis of Carbocyclic Amino Acid Dipeptide Mimetics
Authors of publication	Stephen Hanessian; Dilip K. Maji; Subramaniyan Govindan; Riccardo Matera; Marina Tintelnot-Blomley
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	2861 - 2876
a	9.066 ± 0.003 Å
b	9.498 ± 0.002 Å
c	19.981 ± 0.006 Å
α	90°
β	102.22 ± 0.03°
γ	90°
Cell volume	1681.6 ± 0.9 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	0.118
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	0.704
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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