Crystallography Open Database

Information card for entry 7202636

7202635 << 7202636 >> 7202637

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Structure parameters

Formula	C34 H52 N2 O4
Calculated formula	C34 H52 N2 O4
SMILES	c1(c(c(cc(c1)C(C)(C)C)C(C)(C)C)O)C(=O)NCCCCNC(=O)c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O
Title of publication	Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides
Authors of publication	Jiménez, Claudio A.; Belmar, Julio B.; Delgado, Fernando S.; Julve, Miguel; Ruiz-Pérez, Catalina
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	9
Pages of publication	746
a	10.0092 ± 0.0006 Å
b	11.2895 ± 0.0007 Å
c	15.5109 ± 0.0008 Å
α	98.9 ± 0.04°
β	102.04 ± 0.05°
γ	104 ± 0.05°
Cell volume	1623.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.132
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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