Crystallography Open Database

Information card for entry 2202482

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Coordinates	2202482.cif
Structure factors	2202482.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	34,35-Dimethyl-13,20-dioxa-10,23-diaza-3,30- dithiapentacyclo[30.4.0.0^4,9^.0^14,19^.0^24,29^]hexatriconta- 1(36),4,6,8,14,16,18,24,26,28,32,34-dodecane-11,22-dione
Formula	C32 H30 N2 O4 S2
Calculated formula	C32 H30 N2 O4 S2
SMILES	S1Cc2cc(c(cc2CSc2ccccc2NC(=O)COc2ccccc2OCC(=O)Nc2ccccc12)C)C
Title of publication	34,35-Dimethyl-13,20-dioxa-10,23-diaza-3,30-dithiapentacyclo[30.4.0.0^4,9^.0^14,19^.0^24,29^]hexatriconta-1(36),4,6,8,14,16,18,24,26,28,32,34-dodecane-11,22-dione
Authors of publication	Sundari Bhaskaran; S. Selvanayagam; V. Rajakannan; D. Velmurugan; K. Ravikumar; A. Mohammed Abdul Rasheed; P. Rajakumar
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	9
Pages of publication	o1304 - o1306
a	8.586 ± 0.0007 Å
b	12.909 ± 0.001 Å
c	14.7552 ± 0.0011 Å
α	65.065 ± 0.001°
β	84.701 ± 0.001°
γ	76.522 ± 0.001°
Cell volume	1442.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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